CAS 1575-37-7 4-Bromobenzene-1,2-diamine (HCID 323593)

Names & identifiers

Preferred name: 4-Bromobenzene-1,2-diamine
IUPAC: 4-bromobenzene-1,2-diamine
English name: 4-Bromo-1,2-benzenediamine
Molecular formula: C6H7BrN2
Molecular weight: 187.04

Names & synonyms

4-bromobenzene-1,2-diamine1,2-Benzenediamine, 4-bromo-DTXSID80314531RefChem:520458DTXCID20265654629-615-81575-37-74-Bromo-1,2-benzenediamine4-Bromo-1,2-diaminobenzene1,2-Diamino-4-bromobenzene4-Bromo-o-phenylenediamine2-Amino-4-bromoaniline

Show more names

3-BROMO-1,2-DIAMINOBENZENE4-BroMo-12-benzenediaMineBUTTPARK 95\04-564-Bromo-o-phenyleOliceridine Impurity 12

4-Bromo-1,2-phenylenediamineMFCD026606222-amino-4-bromophenylamineUKC7FT8YHS4-Bromo-2-aminoanilineNSC-2851103,4-Diaminobromobenzene4-Bromo-benzene-1,2-diamine

Database identifiers

CAS: 1575-37-7
PubChem CID: 323593
DTXSID: DTXSID80314531
UNII: UKC7FT8YHS
EC Number: 629-615-8
Nikkaji: J80.240I

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97.1

Physicochemical properties

Melting point: 65 · 65-69 °C (dec.)(lit.)
Boiling point: 289.3 · 289.3±20.0 °C(Predicted)
Density: 1.697 · 1.697±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Soluble in chloroform.
form: powder to crystal
pka: 3.46 · 3.46±0.10(Predicted)
color: White to Brown
InChI: InChI=1S/C6H7BrN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChIKey: WIHHVKUARKTSBU-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C=C1N
CAS DataBase Reference: 1575 · 1575-37-7(CAS DataBase Reference)
FDA UNII: 7 FT8YHS · UKC7FT8YHS
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H317-H319
Precautionary statements: 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T
Risk Statements: 25 · 25-36/38-43
Safety Statements: 26 · 26-36/37-45
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
Hazard Note: Toxic
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29215110 · 29215110
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
REACH Registrations: Active
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 1.8% (1 of 55) of reports.

Danger

H301 (83.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, 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 55 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 28-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7523

1,2-Benzenediamine, 4-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (83.6%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29215110
risk_code: 25-36/38-43
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
hazard_note: Toxic
safety_code: 26-36/37-45
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301-H315-H317-H319
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
Precautionary statements: P280-P301+P310+P330-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses4-Bromo-o-phenylenediamine, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Uses4-Bromo-1,2-diaminobenzene can be used as a precursor for preparing fluorescent dipolar quinoxaline derivatives, which can find applications as potential emissive and electron-transport materials. It can also be used in the synthesis of 6-bromo-2-methylbenzimidazole.

General Description4-Bromo-1,2-diaminobenzene can be obtained from 1,2-diaminobenzene via acetylation followed by bromination and alkaline hydrolysis.