ChemicalBook--->CAS DataBase List--->100-14-1

100-14-1

100-14-1 Structure

100-14-1 Structure
IdentificationMore
[Name]

4-Nitrobenzyl chloride
[CAS]

100-14-1
[Synonyms]

4-NITROBENZYL CHLORIDE
a-Chloro-4-nitrotoluene
A-CHLORO-P-NITROTOLUENE
AKOS BBS-00003951
ALPHA-CHLORO-4-NITROTOLUENE
ALPHA-CHLORO-P-NITROTOLUENE
P-NITROBENZYL CHLORIDE
1-(chloromethyl)-4-nitro-benzen
1-(Chloromethyl)-4-nitrobenzene
1-(chloromethyl)-4-nitro-Benzene
1-chloromethyl-4-nitro-benzen
4-(Chloromethyl)nitrobenzene
4-nitrobenzylchloride[qr]
alpha-Chloro-nitrotoluene
alpha-chloro-p-nitro-toluen
alpha-chloro-p-nitrotoluene[qr]
Benzene, 1-(chloromethyl)-4-nitro-
benzene,1-(chloromethyl)-4-nitro-[qr]
benzylchloride,4-nitro[qr]
p-(Chloromethyl)nitrobenzene
[EINECS(EC#)]

202-822-7
[Molecular Formula]

C7H6ClNO2
[MDL Number]

MFCD00007374
[Molecular Weight]

171.58
[MOL File]

100-14-1.mol
Chemical PropertiesBack Directory
[Appearance]

Benzene, 1-(chloromethyl)-4-nitro-, is a crystalline solid.
[Melting point ]

71 °C
[Boiling point ]

112 °C (0.6 mmHg)
[density ]

1.3246 (rough estimate)
[refractive index ]

1.5647 (estimate)
[solubility ]

chloroform: soluble50mg/mL, clear to very slightly hazy, faintly yellow
[form ]

Crystalline Needles or Powder
[color ]

Light yellow
[Stability:]

Stable. Incompatible with strong oxidizing agents, bases, amines, moisture, alcohols. Corrodes steel. Reacts slowly with water. Combustible.
[BRN ]

387187
[CAS DataBase Reference]

100-14-1(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Nitrobenzyl chloride(100-14-1)
[EPA Substance Registry System]

100-14-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R22:Harmful if swallowed.
R34:Causes burns.
R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[RTECS ]

XS9093000
[F ]

4.8-19-21
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

29049090
[Hazardous Substances Data]

100-14-1(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4-[(4-Methylpiperazin-1-yl)methyl]aniline-->1-METHYL-4-(4-NITROBENZYL)PIPERAZINE-->2,4-DINITROBENZYL CHLORIDE-->1-(4-Nitrophenyl)methyl-1,2,4-triazole-->S-(4-NITROBENZYL)-6-THIOINOSINE-->(4-Nitrophenyl)methanesulfonyl chloride-->p-Aminobenzylchloride-->4-AMINO-N,N-DIMETHYLBENZYLAMINE
Hazard InformationBack Directory
[General Description]

Solid.
[Reactivity Profile]

Incompatible with sodium hydroxide. [EPA, 1998]. A halogenated aromatic nitro compound. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.
[Air & Water Reactions]

May react slowly with water.
[Health Hazard]

Poisonous if swallowed or dust is inhaled.
[Potential Exposure]

A chloronitrobenzene compound, used in organic synthesis.
[Fire Hazard]

Incompatible with sodium hydroxide.
[First aid]

Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy.
[Shipping]

UN3261 Corrosive solid, acidic, organic, n.o.s., Hazard class: 8; Labels: 8—Corrosive material, Technical Name Required. UN1578 Chloronitrobenzenes, solid or liquid, Hazard Class: 6.1; Labels: 6.1—Poisonous materials.
[Incompatibilities]

Can react with sulfuric acid. Keep away from oxidizers, amines, bases: sodium hydroxide, and potassium hydroxide; may cause fire and explosions. Incompatible with strong oxidizing and reducing agents such as hydrides, certain amines, nitrides, azo/diazo compounds, alkali metals (potassium), and epoxides. Corrodes steel, some plastics and human tissue.
[Description]

Benzene, 1-(chloromethyl)-4-nitro- is a crystalline solid. Molecular weight= 171.58; Freezing/Meltingpoint =71℃. Slightly soluble in water; slow reaction.
[Chemical Properties]

Benzene, 1-(chloromethyl)-4-nitro-, is a crystalline solid.
[Chemical Properties]

white to light yellow crystal powde
[Uses]

4-Nitrobenzyl chloride was used to prepare unsymmetrically N,N′-bis(substituted) 4,13-diaza-18-crown-6-ether derivatives.
[Definition]

ChEBI: A C-nitro compound that is nitrobenzene in which the hydrogen at position 4 is replaced by a chloromethyl group.
[Production Methods]

Chlorination of 4-nitrotoluene at 190 ℃ without catalyst gives 4-Nitrobenzyl chloride. The alternative process of nitration of benzylchloride coproduces 2-nitrobenzyl chloride and requires a difficult separation stage.
[storage]

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Store in a refrigerator or in acool, dry place and protect from prolonged exposure tomoisture.
[Purification Methods]

Crystallise the chloride from CCl4, dry diethyl ether, or n-heptane, and dry it under vacuum. IRRITANT.[Beilstein 5 IV 856.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

a-Chloro-4-nitrotoluene(100-14-1).msds
Spectrum DetailBack Directory
[Spectrum Detail]

4-Nitrobenzyl chloride(100-14-1)MS
4-Nitrobenzyl chloride(100-14-1)1HNMR
4-Nitrobenzyl chloride(100-14-1)13CNMR
4-Nitrobenzyl chloride(100-14-1)IR1
4-Nitrobenzyl chloride(100-14-1)IR2
4-Nitrobenzyl chloride(100-14-1)Raman
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