CAS 875-51-4 4-Bromo-2-nitroaniline (HCID 70132)

Names & identifiers

Preferred name: 4-Bromo-2-nitroaniline
IUPAC: 4-bromo-2-nitroaniline
English name: 4-Bromo-2-nitroaniline
Molecular formula: C6H5BrN2O2
Molecular weight: 217.02

Names & synonyms

4-Bromo-2-nitroanilineBenzenamine, 4-bromo-2-nitro-NSC 10069NSC 37396AI3-15013BRN 2210198DTXSID00612483-12-00-01670 (Beilstein Handbook Reference)RefChem:98099DTXCID1048590629-579-3ZCWBZRBJSPWUPG-UHFFFAOYSA-N

Show more names

4-BROMO-2-NITROBENZENAMINEBUTTPARK 29\04-55TIMTEC-BB SBB0033814-bromo-2-nitro-anilin1-Amino-4-bromo-2-nitrobenzene4-Bromo-2-nitroaniline ISO 9001：2015 REACHp-bromonitroaniline

875-51-42-Nitro-4-bromoaniline4-Bromo-o-nitroaniline4-Bromo-2-nitro-phenylaminep-Bromo-o-nitroanilineAniline, 4-bromo-2-nitro-MFCD000413124-Bromo-2-nitrobenzeneamine

Database identifiers

CAS: 875-51-4
PubChem CID: 70132
DTXSID: DTXSID0061248
EC Number: 629-579-3
Nikkaji: J421.541I

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 110 · 110-113 °C (lit.)
Boiling point: 308.7 · 308.7±22.0 °C(Predicted)
Density: 1.7917 · 1.7917 (rough estimate)
refractive index: 1.515 · 1.5150 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform, DMSO, Methanol
form: Solid
pka: -1.05 · -1.05±0.10(Predicted)
color: Orange
InChI: InChI=1S/C6H5BrN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChIKey: ZCWBZRBJSPWUPG-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C=C1[N+]([O-])=O
CAS DataBase Reference: 875 · 875-51-4(CAS DataBase Reference)
EPA Substance Registry System: 4 · 4-Bromo-2-nitroaniline (875-51-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H317-H319-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 22 · 22-36/37/38-43-20/21/22
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
RTECS: 9370000 · BW9370000
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: IRRITANT, IRRITANT-HARMFUL
HS Code: 29214200 · 29214200
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: BW9370000
hs_code: 29214200
risk_code: 22-36/37/38-43-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: IRRITANT, IRRITANT-HARMFUL
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H317-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P280-P301+P312+P330-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 4-bromo-2-nitro-: ACTIVE

Applications

Uses4-Bromo-2-nitroaniline is used for the synthesis of reagents such as ethyltriphenylphosphonium tribromide;

Upstream & downstream products

Upstream raw materials

Downstream products

1,2,3,4-tetrahydro-Phenazine N-Ethyl-2-methylbenzimidazole 5-Bromo-1H-benzimidazole 7-bromo-2-(1-methyl-1H-pyrazol-4-yl)Quinoxaline 2(1H)-Quinoxalinone, 6-broMo-3,4-dihydro-3-BROMO-5-IODOANILINE BENZO[C][1,2,5]OXADIAZOLE-5-BORONIC ACID 4-broMo-N1-Methylbenzene-1,2-diaMine 5-BROMO-1H-BENZOTRIAZOLE 4-AMINO-3-NITROPHENYLBORONIC ACID, PINACOL ESTER

Suppliers100 total

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

139 records

New reaction record

HRID 10415As reactantuspto-grants-2006_08

HRID 44185As reactantuspto-grants-2013_09

HRID 58140As reactantuspto-grants-2016_09

HRID 58158As reactantuspto-grants-2016_09

HRID 147597As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 148586As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 150922As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 159193As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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Basic information