Basic information
- Name:
4-Bromoaniline
- CAS No.:
106-40-1
- Molecular Structure:
- Formula:
- C6H6BrN
- Molecular Weight:
- 172.04
- Synonyms:
- Aniline,p-bromo- (8CI);1-Amino-4-bromobenzene;benzenamine, 4-bromo-;Aniline, p-bromo-;p-Bromophenylamine;p-Bromoaniline;
- EINECS:
- 203-393-9
- Density:
- 1.594 g/cm3
- Melting Point:
- 56-62 °C(lit.)
- Boiling Point:
- 225.9 °C at 760 mmHg
- Flash Point:
- 90.4 °C
- Solubility:
- <0.1 g/100 mL at 23°C in water
- Appearance:
- brown crystals
- Hazard Symbols:
Xn- Risk Codes:
- 21/22-36/37/38-20/21/22
- Safety Description:
- 26-36/37-36/37/39 Details
- Transport Information:
- UN 2811 6.1/PG 3
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Chemistry
Molecular Structure of 4-Bromoaniline (CAS NO.106-40-1):
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IUPAC Name: 4-bromoaniline
Empirical Formula: C6H6BrN
Molecular Weight: 172.02
Form: crystalline
Color: white to light yellow
Water Solubility: <0.1 g/100 mL at 23 °C
Merck: 14,1404
BRN: 742031
H bond acceptors: 1
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 3.24 Å2
Index of Refraction: 1.625
Molar Refractivity: 38.17 cm3
Molar Volume: 107.8 cm3
Surface Tension: 47.7 dyne/cm
Density: 1.594 g/cm3
Flash Point: 90.4 °C
Melting point: 56-62 °C(lit.)
Enthalpy of Vaporization: 46.24 kJ/mol
Boiling Point: 225.9 °C at 760 mmHg
Vapour Pressure: 0.0843 mmHg at 25°C
InChI
InChI=1/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
Smiles
c1(ccc(Br)cc1)N
EINECS: 203-393-9
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, peroxides, acids, acid chlorides, acid anhydrides, chloroformates. May be air sensitive.
Product Categories: Fine chemical & intermediates; Anilines, Aromatic Amines and Nitro Compounds; Amines; Phenyls & Phenyl-Het; API intermediates; Anilines, Amides & Amines; Bromine Compounds; Anilines (Building Blocks for Liquid Crystals); Bifunctional Compounds (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Phenyls & Phenyl-Het; C2 to C6; Nitrogen Compounds
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 248mg/kg (248mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979. | |
| mouse | LD50 | oral | 289mg/kg (289mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979. | |
| rat | LD50 | oral | 456mg/kg (456mg/kg) | Ceskoslovenska Hygiena. Czechoslovak Hygiene. Vol. 23, Pg. 168, 1978. |
Consensus Reports
4-Bromoaniline (CAS NO.106-40-1) is reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of Br− and NOx.
Hazard Codes: 
Xn
Risk Statements: 21/22-36/37/38-20/21/22
R21/22:Harmful in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: BW9280000
F: 8-9-23
Hazard Note: Harmful
HazardClass: 6.1
PackingGroup: III
HS Code: 29214210
Specification
4-Bromoaniline , with CAS number of 106-40-1, can be called 4-Bromanilinu ; 4-Bromo-aniline ; Aniline, p-bromo- ; Benzenamine, 4-bromo- ; p-Bromophenylamine ; p-Bromoaniline . It is a crystalline, 4-Bromoaniline (CAS NO.106-40-1) is sensitive to prolonged exposure to air. Vapor may form highly reactive mixtures in air . Insoluble in water, with highly reactive mixtures in air. Flash point data are not available for 4-Bromoaniline, but 4-Bromoaniline is probably combustible.
