4-Bromoaniline Structure

4-Bromoaniline

Chemical Properties

Melting point 56-62 °C (lit.)
Boiling point 230-250 °C
Density  1.497
bulk density 810kg/m3
refractive index  1.5680 (estimate)
Flash point 222-224°C
storage temp.  Store below +30°C.
solubility  ethanol: soluble0.5g/10 mL, clear, colorless to almost colorless
form  crystalline
pka 3.86(at 25℃)
color  white to light yellow
Odor Sweetish
Water Solubility  <0.1 g/100 mL at 23 ºC
Merck  14,1404
BRN  742031
Henry's Law Constant 1.1×101 mol/(m3Pa) at 25℃, HSDB (2015)
Dielectric constant 13.0(-7℃)
Stability Stable. Combustible. Incompatible with strong oxidizing agents, peroxides, acids, acid chlorides, acid anhydrides, chloroformates. May be air sensitive.
InChI 1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKey WDFQBORIUYODSI-UHFFFAOYSA-N
SMILES Nc1ccc(Br)cc1
CAS DataBase Reference 106-40-1(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 0RR61TC330
NIST Chemistry Reference 4-Bromoaniline(106-40-1)
EPA Substance Registry System p-Bromoaniline (106-40-1)
UNSPSC Code 12352116
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H412
Precautionary statements P501-P273-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Hazard Codes  Xn
Risk Statements  21/22-36/37/38-20/21/22
Safety Statements  26-36/37-36/37/39
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  BW9280000
F  8-9-23
Hazard Note  Harmful
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  III
HS Code  29214210
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
STOT RE 2
Hazardous Substances Data 106-40-1(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 456 mg/kg LD50 dermal Rat 536 mg/kg
NFPA 704:
1
3 1

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