CAS 623-00-7 4-Bromobenzonitrile - Materials / Alfa Chemistry

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4-Bromobenzonitrile

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Catalog Number

ACM623007

Product Name

4-Bromobenzonitrile

Structure

CAS

623-00-7

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4-Bromocyanobenzene

IUPAC Name

4-bromobenzonitrile

Molecular Weight

182.02

Molecular Formula

C7H4BrN

Canonical SMILES

C1=CC(=CC=C1C#N)Br

InChI

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

InChI Key

HQSCPPCMBMFJJN-UHFFFAOYSA-N

Boiling Point

236 °C

Melting Point

113 °C

Flash Point

130°C

Purity

>97.0%(GC)

Density

1,562 g/cm³

Appearance

White to Light yellow powder to crystal

Complexity

127

Covalently-Bonded Unit Count

EC Number

210-764-9

Exact Mass

180.95271g/mol

Formal Charge

Hazard Statements

H301 : Toxic if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD00001811

MeSH Entry Terms

4-bromo benzonitrile

Monoisotopic Mass

180.95271g/mol

NSC Number

3978

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.P405 : Store locked up.

Rotatable Bond Count

Safety Description

61-36/37/39-26

Signal Word

Danger

Supplemental Hazard Statements

H312-H331-H335-H402-H315-H319-H412-H301

XLogP3

2.6

MSDS

Download MSDS

COA