P-Bromoaniline 97%

CAT: 0286-B18510-01Size: 25 gDry Ice: NoHazardous: Yes

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CAT#:0286-B18510-01Size:25 g

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CAS Number

106-40-1

UN Code

UN2811

Pictogram

06 - Acute Toxicity; 08 - Health Hazard

UDF Signal Word

Danger

MDL Number

MFCD00007822

Hazard Statement

H302 Harmful if swallowed; H311 Toxic in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H373 Causes damage to organs through prolonged or repeated exposure.

DOT Name

Toxic Solids, Organic, N.O.S.

DOT Classification

Class 6.1

Packaging Group

PGIII

Precautions

P260 Do not breathe dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P314 Get medical advice/attention if you feel unwell; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

4-Bromoaniline

P-bromoaniline is a brown solid with a sweet odor. (NTP, 1992)

CAS Number	106-40-1
PubChem CID	7807
IUPAC Name	4-bromoaniline
Molecular Formula	C6H6BrN
Molecular Weight	172.02
XLogP	2.3
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	66

SMILES

C1=CC(=CC=C1N)Br

InChI

InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

InChIKey

WDFQBORIUYODSI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 106-40-1

CID: 7807

Formula: C6H6BrN

MW: 172.02

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	172.02
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	170.96836
Monoisotopic Mass	170.96836
Topological Polar Surface Area	26 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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