4-Bromobenzyl cyanide

Modify Date: 2025-08-23 12:21:21

4-Bromobenzyl cyanide Structure
4-Bromobenzyl cyanide structure
 Common Name 4-Bromobenzyl cyanide
CAS Number 16532-79-9 Molecular Weight 196.044
Density 1.5±0.1 g/cm3 Boiling Point 286.2±15.0 °C at 760 mmHg
Molecular Formula C8H6BrN Melting Point 47-49 °C(lit.)
MSDS Chinese USA Flash Point 126.9±20.4 °C
Symbol GHS06
GHS06		 Signal Word Danger

 Names

Name 4-Bromophenylacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 286.2±15.0 °C at 760 mmHg
Melting Point 47-49 °C(lit.)
Molecular Formula C8H6BrN
Molecular Weight 196.044
Flash Point 126.9±20.4 °C
Exact Mass 194.968353
PSA 23.79000
LogP 2.22
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.573
InChIKey MFHFWRBXPQDZSA-UHFFFAOYSA-N
SMILES N#CCc1ccc(Br)cc1
Water Solubility slightly soluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AL8090000
CHEMICAL NAME :
Acetonitrile, (p-bromophenyl)-
CAS REGISTRY NUMBER :
16532-79-9
BEILSTEIN REFERENCE NO. :
1861069
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H6-Br-N
MOLECULAR WEIGHT :
196.06
WISWESSER LINE NOTATION :
NC1R DE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03252

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H301-H312 + H332-H315-H319-H335
Precautionary Statements P261-P280-P301 + P310-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36/37/39-S38-S26/36/37/39
RIDADR 3276
WGK Germany 3
RTECS AL8090000
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles4

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Readily synthesised arylamino fumaronitrile for non-doped red organic light-emitting diodes.

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Bright (maximum 10034 cd m(-2), 455 cd m(-2) at 20 mA cm(-2)) and efficient (maximum 2.4% at 4 mA cm(-2)) red (lambda(max)el 634-636 nm) organic light-emitting diodes employ arylamino-substituted fuma...

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Tetrahedron Lett. 50(50) , 7005-7007, (2009)

Polymeric light emitting properties and structural relationships of fluorene-based conjugated copolymers containing various hole transporting derivatives. Park JH, et al.

Org. Electron. 8(2) , 272-285, (2007)

 Synonyms

4-Bromobenzyl cyanide
EINECS 240-602-2
MFCD00001916
2-(4-bromophenyl)acetonitrile
(4-Bromophenyl)acetonitrile
4-bromophenylacetonitrile
Benzeneacetonitrile, 4-bromo-
4-Bromo phenylacetonitrile
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