ChemicalBook--->CAS DataBase List--->6952-59-6

6952-59-6

6952-59-6 Structure

6952-59-6 Structure
IdentificationMore
[Name]

3-Bromobenzonitrile
[CAS]

6952-59-6
[Synonyms]

3-BROMOBENZONITRILE
AKOS B004047
MBBN
M-BROMOBENZONITRILE
1-Bromo-3-cyanobenzene
Benzonitrile, 3-bromo-
Benzonitrile, m-bromo-
3-BROMBENZONITRILE, 99%
3-Cyanobromobenzene
3-Bromobenzonitrile98%
3-Bromobenzonitrile,99%
3-Bromobenzonitrile 98%
m-bromo-benzonitril
3-BROMO-6-PICOLINE
m-Bromobenzonitride
3-Cyanophenyl bromide
1-Cyano-3-bromobenzene
3-Cyano-1-bromobenzene
[EINECS(EC#)]

230-127-9
[Molecular Formula]

C7H4BrN
[MDL Number]

MFCD00001796
[Molecular Weight]

182.02
[MOL File]

6952-59-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow or beige crystalline mass,
[Melting point ]

38-40 °C(lit.)
[Boiling point ]

225 °C(lit.)
[density ]

1.562
[refractive index ]

1.5999 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

0.2g/l
[form ]

Crystalline Mass, Crystals or Crystalline Powder
[color ]

White to light yellow or beige
[Water Solubility ]

Soluble in water (0.2 g/L)
[BRN ]

1858942
[InChI]

InChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H
[InChIKey]

STXAVEHFKAXGOX-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=CC(Br)=C1
[CAS DataBase Reference]

6952-59-6(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Bromobenzoic acid nitrile(6952-59-6)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
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 .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3276
[WGK Germany ]

3
[RTECS ]

DI2459500
[Hazard Note ]

Harmful/Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzene, 1-(azidomethyl)-3-bromo--->3-Bromo-N-isopropylbenzamide-->3-Bromobenzamide-->3-Bromobenzylamine-->3-Bromobenzyl alcohol-->3-Cyanobenzoic acid-->3-Chlorobenzonitrile-->3-Aminobenzonitrile
[Preparation Products]

3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid-->3-(2-Bromoacetyl)benzoic acid-->3-Acetylbenzonitrile-->1-Boc-4-(4-carboxy-2-nitrophenyl)piperazine-->3-Acetylbenzoic acid-->3-(2-Bromoacetyl)benzonitrile-->3-(6-Formyl-pyridin-2-yl)-benzonitrile-->3-nitro-4-piperazin-1-ylbenzonitrile-->4-Bromo-3-nitrobenzonitrile-->3-Cyanophenylboronic acid-->3-Cyanophenol-->3-Cyanocinnamic acid-->Benzonitrile, 3-butoxy-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

m-Bromobenzonitrile(6952-59-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow or beige crystalline mass,
[Uses]

3-Bromobenzonitrile is involved in the Suzuki reaction under solvent-free conditions.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromobenzonitrile(6952-59-6)MS
3-Bromobenzonitrile(6952-59-6)1HNMR
3-Bromobenzonitrile(6952-59-6)13CNMR
3-Bromobenzonitrile(6952-59-6)IR1
3-Bromobenzonitrile(6952-59-6)IR2
3-Bromobenzonitrile(6952-59-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromobenzonitrile, 99%(6952-59-6)
[Alfa Aesar]

3-Bromobenzonitrile, 99%(6952-59-6)
[Sigma Aldrich]

6952-59-6(sigmaaldrich)
[TCI AMERICA]

3-Bromobenzonitrile,>98.0%(GC)(6952-59-6)
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