ChemicalBook--->CAS DataBase List--->2042-37-7

2042-37-7

2042-37-7 Structure

2042-37-7 Structure
IdentificationMore
[Name]

2-Bromobenzonitrile
[CAS]

2042-37-7
[Synonyms]

1-BROMO-2-CYANOBENZENE
2-BROMOBENZONITRILE
BROMOBENZONITRILE(2-)
OBBN
O-BROMOBENZONITRILE
TIMTEC-BB SBB008569
2-bromo-benzonitril
Benzonitrile, o-bromo-
o-bromo-benzonitril
o-Bromobenzonitrile 2-Bromobenzonitrile
2-Bromo
2-cyanobromobenzene
2-Brombenzonitril
o-bromocyanobenzene
2-Bromobenzenecarbonitrile
2-BROMOBENZONITRILE/1-BROMO-2-CYANOBENZENE
1-Cyano-2-bromobenzene
[EINECS(EC#)]

218-045-1
[Molecular Formula]

C7H4BrN
[MDL Number]

MFCD00001772
[Molecular Weight]

182.02
[MOL File]

2042-37-7.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

53-57 °C(lit.)
[Boiling point ]

251-253 °C(lit.)
[density ]

1.496
[refractive index ]

1.5999 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

10.5g/l
[form ]

Crystalline Solid
[color ]

White to yellow
[PH]

6.6 (10.5g/l, H2O, 23℃)
[BRN ]

2042185
[InChI]

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

AFMPMSCZPVNPEM-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=CC=C1Br
[CAS DataBase Reference]

2042-37-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzonitrile, 2-bromo-(2042-37-7)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H312-H319-H412
[Precautionary statements ]

P264-P273-P280-P301+P310-P302+P352+P312-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

3276
[WGK Germany ]

2
[RTECS ]

DI2459750
[Hazard Note ]

Harmful/Irritant
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Acute Tox. 4 Dermal
Aquatic Chronic 3
Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Hydroxybenzaldehyde-->4-Hydroxybenzoic acid-->3,5-Dibromo-4-hydroxybenzaldehyde
[Preparation Products]

tert-Butyl 4-(2-cyanophenyl)piperazine-1-carboxylate-->1-(2-Cyanophenyl)piperazine-->2-Bromo-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile-->2-Cyanophenylboronic acid-->2-Bromobenzylamine-->2-Diphenylphosphinobenzaldehyde-->2-ethylquinazolin-4-ol-->4-(2-Cyanophenyl)benzaldehyde-->5-[4'-(Bromomethyl)-[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-2H-tetrazole-->3-Bromo-4'-chlorobenzophenone-->2-amino-6-bromobenzonitrile-->2-Morpholinobenzonitrile
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Bromobenzonitrile(2042-37-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

2-Bromobenzonitrile belongs to a group of ortho-substituted bromobenzenes that have varying hepatotoxicity effects in the presence of rat liver microsomes in vitro. 2-Bromobenzonitrile is also used as a starting material to synthesize novel benzothiophene derivatives that were found to exhibit antibacterial and antifungal activity. It is commonly employed in reactions that require an electron-rich species to carry out nucleophilic substitution (or addition) reactions.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromobenzonitrile(2042-37-7)MS
2-Bromobenzonitrile(2042-37-7)1HNMR
2-Bromobenzonitrile(2042-37-7)13CNMR
2-Bromobenzonitrile(2042-37-7)IR1
2-Bromobenzonitrile(2042-37-7)IR2
2-Bromobenzonitrile(2042-37-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Bromobenzonitrile, 99%(2042-37-7)
[Alfa Aesar]

2-Bromobenzonitrile, 99%(2042-37-7)
[Sigma Aldrich]

2042-37-7(sigmaaldrich)
[TCI AMERICA]

2-Bromobenzonitrile,>98.0%(GC)(2042-37-7)
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