4-Bromo-3,5-difluoroaniline

HCID 2736260

Notes Reactions

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Basic information

CAS: 203302-95-8
Standard SMILES: Nc1cc(F)c(Br)c(F)c1
InChIKey: DKKUSFDAHRASGO-UHFFFAOYSA-N
Molecular formula: C6H4BrF2N
Average molar mass: 208 g/mol
Monoisotopic mass: 206.94951767

Names & identifiers

Preferred name: 4-Bromo-3,5-difluoroaniline
IUPAC: 4-bromo-3,5-difluoroaniline
English name: 4-Bromo-3,5-difluoroaniline
Molecular formula: C6H4BrF2N
Molecular weight: 208

Names & synonyms

4-Bromo-3,5-difluoroaniline203302-95-8DTXSID50371237RefChem:1070399DTXCID20322271642-716-1benzenamine, 4-bromo-3,5-difluoro-MFCD002365934-bromo-3,5-difluorophenylamine3,5-difluoro-4-bromoanilineEN300-1060674-bromo-3,5-difluorobenzenamine

Show more names

BUTTPARK 35\03-504-bromo-3,5-difluoroanilin4-Bromo-3,5-difluoroaniline >4-Bromo-3,5-difluoroaniline 95%4-bromo-3,5-difluoro-Benzenamine4-Bromo-3,5-difluoroaniline ISO 9001：2015 REACH4-BroMo-3,5-difluoroaniline 95%, 5-difluoroaniline 95%

4-bromo-3,5-difluoro-phenylamineSCHEMBL238421SCHEMBL29221526BDBM625970CK1163SBB093953AKOS005064041AC-1576

Database identifiers

CAS: 203302-95-8
PubChem CID: 2736260
DTXSID: DTXSID50371237
EC Number: 642-716-1
Nikkaji: J3.151.753B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 99 · 99-101°C
Boiling point: 223.7 · 223.7±35.0 °C(Predicted)
Density: 1.788 · 1.788±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 1.86 · 1.86±0.10(Predicted)
color: White to Light gray to Light orange
InChI: InChI=1S/C6H4BrF2N/c7-6-4(8)1-3(10)2-5(6)9/h1-2H,10H2
InChIKey: DKKUSFDAHRASGO-UHFFFAOYSA-N
SMILES: C1(N)=CC(F)=C(Br)C(F)=C1
CAS DataBase Reference: 203302 · 203302-95-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Warning
Hazard statements: 302 · H302-H312-H331-H335-H302+H312+H332-H315-H319
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
RIDADR: 2811 · UN2811
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2921420090 · 2921420090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (11.1%)

Safety data

ridadr: UN2811
hs_code: 2921420090
Signal word: Warning
Symbol(GHS): GHS07,GHS06
hazard_code: Xi
hazard_note: Irritant
hazard_class: 6.1
packing_group: III
Hazard statements: H302-H312-H331-H335-H302+H312+H332-H315-H319
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P304+P340-P305+P351+P338-P405-P501a