ChemicalBook--->CAS DataBase List--->96-99-1

96-99-1

96-99-1 Structure

96-99-1 Structure
IdentificationMore
[Name]

4-Chloro-3-nitrobenzoic acid
[CAS]

96-99-1
[Synonyms]

3-NITRO-4-CHLORO BENZOIC ACID
4-CHLORO-3-NITROBENZOIC ACIC
4-CHLORO-3-NITROBENZOIC ACID
BENZOIC ACID, 4-CHLORO-3-NITRO-
CHLORO(4-)-3-NITROBENZOIC ACID
LABOTEST-BB LT00013440
RARECHEM AL BO 0284
TIMTEC-BB SBB000404
4-chloro-3-nitro-benzoicaci
Kyselina 4-chloro-3-nitrobenzoova
kyselina4-chloro-3-nitrobenzoova
4-Chloro-3-Nitrobenzoic acid 3-Nitro-4-Chlorobenzoic acid
4-chloro-3-nirobenzoic acid
3-nitro-4-Chorobenzoic Acid
4-Chloro-3-Nitobenzoic Acid
4-Chloro-3-NitrobenzoicAcid,>99%
4-Chloro-3-nitrobenzoic acid, 99.5%
4-Chloro-3-nitrobenzoic
4-CHLORO-3-NITROBENZOIC ACID GRADE A
4-CHLORO-3-NITROBENZOIC ACID GRADE B
[EINECS(EC#)]

202-550-9
[Molecular Formula]

C7H4ClNO4
[MDL Number]

MFCD00007079
[Molecular Weight]

201.56
[MOL File]

96-99-1.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

180-183 °C (lit.)
[Boiling point ]

371.6±27.0 °C(Predicted)
[density ]

1.64
[refractive index ]

1.6280 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Powder
[pka]

3.35±0.10(Predicted)
[color ]

Light yellow to cream
[Water Solubility ]

342.7mg/L(temperature not stated)
[BRN ]

783626
[Henry's Law Constant]

3.6×103 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
[InChI]

InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
[InChIKey]

DFXQXFGFOLXAPO-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(Cl)C([N+]([O-])=O)=C1
[CAS DataBase Reference]

96-99-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 4-chloro-3-nitro-(96-99-1)
[EPA Substance Registry System]

96-99-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

DG5425050
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29163900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Dichloromethane-->Nitric acid-->4-Chlorobenzoic acid-->4-Chlorobenzotrichloride-->1-Butanone, 1-(4-chloro-3-nitrophenyl)--->1-chloro-4-(chloromethyl)-2-nitrobenzene-->4-Chloro-3-nitrobenzonitrile-->4-Chlorotoluene-->4-Chloro-3-nitrobenzaldehyde
[Preparation Products]

1-Methylimidazole-->Mebendazole-->Phenol, 4-nitro-, ion(1-) (9CI)-->2,4-dinitrophenol(1-)-->Methyl 2-oxoindole-6-carboxylate-->Malonic acid-->3-Amino-4-hydroxybenzoic acid-->2,3-Dihydro-3-(MethoxyphenylMethylene)-2-oxo-1H-indole-6-carboxylic acid Methyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chloro-3-nitrobenzoic acid(96-99-1).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

4-Chloro-3-nitrobenzoic acid is commonly used as a chemical intermediate in pharmaceutical, dye, and agricultural syntheses.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-3-nitrobenzoic acid(96-99-1)MS
4-Chloro-3-nitrobenzoic acid(96-99-1)1HNMR
4-Chloro-3-nitrobenzoic acid(96-99-1)IR1
4-Chloro-3-nitrobenzoic acid(96-99-1)IR2
4-Chloro-3-nitrobenzoic acid(96-99-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chloro-3-nitrobenzoic acid, 99.5%(96-99-1)
[Alfa Aesar]

4-Chloro-3-nitrobenzoic acid, 99%(96-99-1)
[Sigma Aldrich]

96-99-1(sigmaaldrich)
[TCI AMERICA]

4-Chloro-3-nitrobenzoic Acid,>98.0%(T)(96-99-1)
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