ChemicalBook--->CAS DataBase List--->31938-07-5

31938-07-5

31938-07-5 Structure

31938-07-5 Structure
IdentificationMore
[Name]

3-Bromophenylacetonitrile
[CAS]

31938-07-5
[Synonyms]

3-BROMOBENZYL CYANIDE
3-BROMOPHENYLACETONITRILE
M-BROMOBENZYL CYANIDE
TIMTEC-BB SBB006625
3-BROMOBENZYL CYANIDE 98%
Alpha-Bromo-M-Tolunitrile98%
3-Bromophenylacetonitrile, 98%+
3-Bromophenylacetonitrile,97%
3-BROMOPHENYLACETONITRILE/3-BROMOBENZYL CYANIDE
m-Bromophenylacetonitrile
[EINECS(EC#)]

250-867-6
[Molecular Formula]

C8H6BrN
[MDL Number]

MFCD00001906
[Molecular Weight]

196.04
[MOL File]

31938-07-5.mol
Chemical PropertiesBack Directory
[Appearance]

Light yellow low melting crystalline solid
[Melting point ]

27-28 °C (lit.)
[Boiling point ]

145-147 °C/10 mmHg (lit.)
[density ]

1.5466 (rough estimate)
[refractive index ]

1.5700
[Fp ]

>110°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

liquid
[color ]

Colourless
[BRN ]

2355439
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[LogP]

2.220 (est)
[CAS DataBase Reference]

31938-07-5(CAS DataBase Reference)
[EPA Substance Registry System]

31938-07-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

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 ]

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 .
S36:Wear suitable protective clothing .
[RIDADR ]

3449
[WGK Germany ]

3
[RTECS ]

AL8060000
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

I
[HS Code ]

29269090
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

6-bromo-1,2,3,4-tetrahydroisoquinoline-->6-BROMO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE-->3-BROMOPHENETHYLAMINE-->2-(3-Bromophenyl)-2-methylpropanenitrile-->6-BROMO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER-->Cyclopentanecarbonitrile, 1-(3-bromophenyl)- -->2-(3-bromo-4-nitrophenyl)acetic acid-->1-(3-BROMOPHENYL)CYCLOBUTANECARBOXYLIC ACID-->4-(3-BROMO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER-->4-(3-broMophenyl)tetrahydro-2h-pyran-4-carboxaMide-->4-(3-BROMOPHENYL)TETRAHYDROPYRAN-4-CARBONITRILE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Bromobenzyl cyanide(31938-07-5).msds
Hazard InformationBack Directory
[Chemical Properties]

Light yellow low melting crystalline solid
[Uses]

3-Bromophenylacetonitrile has been used in the synthesis of:
  • a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands
  • 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromophenylacetonitrile(31938-07-5)MS
3-Bromophenylacetonitrile(31938-07-5)1HNMR
3-Bromophenylacetonitrile(31938-07-5)13CNMR
3-Bromophenylacetonitrile(31938-07-5)IR1
3-Bromophenylacetonitrile(31938-07-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromophenylacetonitrile, 98+%(31938-07-5)
[Alfa Aesar]

3-Bromophenylacetonitrile, 97%(31938-07-5)
[Sigma Aldrich]

31938-07-5(sigmaaldrich)
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