CAS 3638-73-1 2,5-Dibromoaniline (HCID 77198)

Overview

structure in first source

Names & identifiers

Preferred name: 2,5-Dibromoaniline
IUPAC: 2,5-dibromoaniline
English name: 2,5-Dibromobenzenamine
Molecular formula: C6H5Br2N
Molecular weight: 250.92

Names & synonyms

2,5-Dibromoaniline3638-73-1Benzenamine, 2,5-dibromo-C54DZ85Z8HNSC-88348DTXSID80189908RefChem:827732,5-DBADTXCID00112399222-865-52,5-Dibromobenzenamine2,5-dibromophenylamine

Show more names

2,5-Dibromanilin2,5-Dibromobenzenami2,5-Dibromobenzemine2,5-Dibromoaniline>2,5-Dibromoaniline,98%2,5-Dibromoaniline,97%2,5-DIBROMOANILINE 97%

Aniline, 2,5-dibromo-MFCD00007636NSC88348EINECS 222-865-52,5-dibromo-phenylamineNCIOpen2_005150UNII-C54DZ85Z8H2,5-Dibromoaniline, 98%

Database identifiers

CAS: 3638-73-1
PubChem CID: 77198
DTXSID: DTXSID80189908
UNII: C54DZ85Z8H
EC Number: 222-865-5
Nikkaji: J205.560K

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 97.1

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 51 · 51-53 °C (lit.)
Boiling point: 181.5 °C · 181.5°C (rough estimate)
Density: 1.9318 · 1.9318 (rough estimate)
refractive index: 1.63 · 1.6300 (estimate)
Flash point: 230 °F · >230 °F
solubility: soluble in Ethanol,Methanol
form: Crystalline Powder
pka: 1.46 · 1.46±0.10(Predicted)
color: Beige to dark gray
BRN: 1817548 · 1817548
InChI: 1S/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey: WRTAZRGRFBCKBU-UHFFFAOYSA-N
SMILES: Nc1cc(Br)ccc1Br
CAS DataBase Reference: 3638 · 3638-73-1(CAS DataBase Reference)
FDA UNII: 54 DZ85Z8H · C54DZ85Z8H
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H312+H332-H315-H319-H335
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P312-P403+P233-P405
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38-33
Safety Statements: 26 · 26-36-36/37/39
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29214200 · 29214200
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, 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 7 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
ridadr: 2811
hs_code: 29214200
risk_code: 20/21/22-36/37/38-33
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36-36/37/39
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H301-H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P312-P403+P233-P405

Chemistry & industry

Applications

Uses2,5-Dibromoaniline was used in the synthesis of 2,4,5-tribromoaniline. It was also used as starting reagent in the regioselective synthesis of 2-(3,4-dimethoxyphenyl)-5-bromobenzothiazole.