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3-Bromobenzonitrile

3-Bromobenzonitrile structure

CAS No:
6952-59-6
Formula:
C7H4BrN
Chemical Name:
3-Bromobenzonitrile
Synonyms:
Benzonitrile,3-bromo-;Benzonitrile,m-bromo-;3-Bromobenzonitrile;m-Bromobenzonitrile;1-Bromo-3-cyanobenzene;m-Bromobenzonitrile;3-Cyanophenyl bromide;NSC 59731;3-Cyano-1-bromobenzene
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

white to light yellow or beige crystalline mass,

3-Bromobenzonitrile Basic Attributes

Molecular Weight：

182.02

Exact Mass：

182.02

BRN：

1858942

EC Number：

230-127-9

NSC Number：

59731

DSSTox ID：

DTXSID00219771

HScode：

29269095

Characteristics

PSA：

23.8

XLogP3：

1.8

Appearance：

White to light yellow or beige Crystalline Mass, Crystals or Crystalline Powder

Density：

1.6±0.1 g/cm3

Melting Point：

39.5 °C

Boiling Point：

225 °C

Flash Point：

>230 °F

Refractive Index：

1.606

Water Solubility：

soluble in water(0.2 g/L)

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38-52/53-36-21/22

safety instructions：

26-36-36/37/39-61

RTECS Number：

DI2459500

Marks：

Xn,Xi

Hazard note：

Harmful/Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (93.62%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:182.02
XLogP3:1.8
Hydrogen Bond Acceptor Count:1
Exact Mass:180.95271
Monoisotopic Mass:180.95271
Topological Polar Surface Area:23.8
Heavy Atom Count:9
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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