4-Bromoaniline

Modify Date: 2026-06-30 20:56:06

4-Bromoaniline Structure
4-Bromoaniline structure
Common Name 4-Bromoaniline
CAS Number 106-40-1 Molecular Weight 172.023
Density 1.6±0.1 g/cm3 Boiling Point 225.9±13.0 °C at 760 mmHg
Molecular Formula C6H6BrN Melting Point 56-62 °C(lit.)
MSDS USA Flash Point 90.4±19.8 °C
Symbol GHS06
GHS06
Signal Word Danger

 Names

Name 4-Bromoaniline
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Boiling Point 225.9±13.0 °C at 760 mmHg
Melting Point 56-62 °C(lit.)
Molecular Formula C6H6BrN
Molecular Weight 172.023
Flash Point 90.4±19.8 °C
Exact Mass 170.968353
PSA 26.02000
LogP 2.05
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.626
InChIKey WDFQBORIUYODSI-UHFFFAOYSA-N
SMILES Nc1ccc(Br)cc1
Stability Stable. Combustible. Incompatible with strong oxidizing agents, peroxides, acids, acid chlorides, acid anhydrides, chloroformates. May be air sensitive.
Water Solubility <0.1 g/100 mL at 23 ºC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BW9280000
CHEMICAL NAME :
Aniline, p-bromo-
CAS REGISTRY NUMBER :
106-40-1
BEILSTEIN REFERENCE NO. :
0742031
LAST UPDATED :
199710
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C6-H6-Br-N
MOLECULAR WEIGHT :
172.04
WISWESSER LINE NOTATION :
ZR DE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
456 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
289 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
248 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Unscheduled DNA synthesis
TEST SYSTEM :
Rodent - rat Liver
DOSE/DURATION :
50 umol/L
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 3,11,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2753 No. of Facilities: 174 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1744 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2753 No. of Facilities: 184 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 4703 (estimated) No. of Female Employees: 3745 (estimated)

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H302-H311-H315-H319-H335
Precautionary Statements P261-P280-P305 + P351 + P338-P312
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn:Harmful
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36/37-S36/37/39
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS BW9280000
Packaging Group III
Hazard Class 6.1
HS Code 29214210

 Synthetic Route

 Customs

HS Code 2921420090
Summary HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles21

More Articles
Synthetic and biological studies on thioxoquinazolinone substituted isoxazoles.

J. Environ Biol. 36 , 909-18, (2015)

Eighteen novel 5-phenyl-3-(substitutedthioxoquinazolinonyl) isoxazoles (5a-r) were synthesized by cycloaddition of various chalcones with hydroxylaminehydrochloride (NH2OH.HCl). All the newly synthesi...

Biopartitioning micellar chromatography to predict mutagenicity of aromatic amines.

Eur. J. Med. Chem. 42 , 1396-402, (2007)

Mutagenicity is a toxicity endpoint associated with the chronic exposure to chemicals. Aromatic amines have considerable industrial and environmental importance due to their widespread use in industry...

Acute metobromuron poisoning with severe associated methemoglobinemia. Identification of four metabolites in plasma and urine by LC-DAD, LC-ESI-MS, and LC-ESI-MS-MS.

J. Anal. Toxicol. 24(3) , 157-64, (2000)

A case of self poisoning with metobromuron, a urea derivative used as a herbicide, is reported. Severe methemoglobinemia observed at the admission (80%) disappeared only at day 11, and hemolysis appea...

 4-BromoanilineBioassay

View more

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
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 Synonyms

para bromo aniline
para-bromoaniline
Benzenamine,4-bromo
4-bromo-aniline
4-bromobenzenamide
4-Bromoaniline
EINECS 203-393-9
4-Bromobenzenamine
ZR DE
MFCD00007822
P-BROMOANILINE
Aniline,p-bromo
p-Bromophenylamine
1-amino-4-bromobenzene
4-bromo-phenylamine
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