2-Bromo-5-nitroaniline (HCID 82607)

Names & identifiers

Preferred name: 2-Bromo-5-nitroaniline
IUPAC: 2-bromo-5-nitroaniline
English name: 2-Bromo-5-nitroaniline
Molecular formula: C6H5BrN2O2
Molecular weight: 217.02

Names & synonyms

2-Bromo-5-nitroaniline10403-47-1DTXSID50146225EINECS 233-874-9RefChem:466910DTXCID7068716233-874-9Benzenamine, 2-bromo-5-nitro-MFCD000515782-bromo-5-nitrobenzenamine2-bromo-5-nitro-aniline2-Bromo-5-nitro-phenylamine

Show more names

AKOS BBS-000019872-Bromo-5-nitroaniL2-Bromo-5-nitroaniline,98%2-Bromo-5-nitroaniline >2-Bromo-5-nitroaniline 98%3-Amino-4-bromonitrobenzene2-Bromo-5-nitroaniline, GC 98%2-Bromo-5-nitroaniline ISO 9001：2015 REACH

2-bromo-5-nitrophenylamineSCHEMBL398996CS-W002243AE-641/001350242-bromo 5-nitroaniline4-nitro-2-aminobromobenzeneaniline, 2-bromo-5-nitro-CHEMBL106285

Database identifiers

CAS: 10403-47-1
PubChem CID: 82607
DTXSID: DTXSID50146225
ChEMBL: CHEMBL106285
EC Number: 233-874-9
Nikkaji: J236.811K

Properties

Computed structural properties

XLogP: 2.3
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: 139 · 139-141 °C (lit.)
Boiling point: 334.5 · 334.5±22.0 °C(Predicted)
Density: 1.7917 · 1.7917 (rough estimate)
refractive index: 1.515 · 1.5150 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 0.49 · 0.49±0.10(Predicted)
form: Fine Crystalline Needles or Crystalline Powder
color: Dark yellow to khaki
Water Solubility: slightly soluble
BRN: 2803492 · 2803492
InChI: 1S/C6H5BrN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
InChIKey: BAAUCXCLMDAZEL-UHFFFAOYSA-N
SMILES: Nc1cc(ccc1Br)[N+]([O-])=O
CAS DataBase Reference: 10403 · 10403-47-1(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2-Bromo-5-nitroaniline(10403-47-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29214200 · 29214200
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (15.2%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29214200
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-Bromo-5-nitroaniline reacts with phosgene iminium chloride to give a dimethylcarbamimidic chloride intermediate, which is then treated with primary amines to form guanidinyl derivatives and ultimately 5-nitrobenzimidazole derivatives[1]. 2-Bromo-5-nitroaniline can be acetylated and then thionated to give the corresponding thioamide, or heated with an amide and POCl3 in toluene to afford amidine derivatives[2].