Basic information
- CAS
21402-26-6- Standard SMILES
Nc1ccc(Br)c(Cl)c1- InChIKey
QLYHPNUFNZJXOQ-UHFFFAOYSA-N- Molecular formula
- C6H5BrClN
- Average molar mass
- 206.47 g/mol
- Monoisotopic mass
- 204.92938894
Names & identifiers
- Preferred name
- 4-Bromo-3-chloroaniline
- IUPAC
- 4-bromo-3-chloroaniline
- English name
- 4-Bromo-3-chloroaniline
- Molecular formula
- C6H5BrClN
- Molecular weight
- 206.47
Names & synonyms
4-Bromo-3-chloroaniline21402-26-6Benzenamine, 4-bromo-3-chloro-3-CHLORO-4-BROMOANILINE(4-bromo-3-chlorophenyl)amine2GTM4SW4OHUNII-2GTM4SW4OHDTXSID30175674EINECS 244-370-3ANILINE, 4-BROMO-3-CHLORO-RefChem:98117DTXCID7098165
Show more names
AKOS 903024-Bromo-3-chlo4-Brom-3-chloranilinChloro-4-bromoaniline4-Bromo-3-chloroaniline,96%4-Bromo-3-chloroaniline >
244-370-3QLYHPNUFNZJXOQ-UHFFFAOYSA-NMFCD000413114-bromo-3-chloro-aniline4-Bromo-3-chlorobenzenamine4-bromo-3-chloro aniline4-bromo-3-chlorophenylamine4-bromo-3-chloro-phenylamine
Database identifiers
- CAS
21402-26-6- PubChem CID
- 88888
- DTXSID
DTXSID30175674- UNII
- 2GTM4SW4OH
- EC Number
- 244-370-3
- Nikkaji
- J226.198G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Melting point
- 74 °C · 74 °C
- Boiling point
- 276.3 · 276.3±20.0 °C(Predicted)
- Density
- 1.722 · 1.722±0.06 g/cm3(Predicted)
- Flash point
- 100 °C · >100 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.84 · 2.84±0.10(Predicted)
- color
- White to Light yellow
- BRN
- 1210160 · 1210160
- InChI
- InChI=1S/C6H5BrClN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
- InChIKey
- QLYHPNUFNZJXOQ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(Br)C(Cl)=C1
- CAS DataBase Reference
- 21402 · 21402-26-6(CAS DataBase Reference)
- FDA UNII
- 2 GTM4SW4OH · 2GTM4SW4OH
- Symbol(GHS)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P301+P317, P304+P340, P317, P319, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 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 (100%)
Safety data
- ridadr
- 2811
- hs_code
- 29214200
- risk_code
- 20/21/22-33-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06,GHS08
- hazard_code
- Xi,T,Xn
- hazard_note
- Harmful
- safety_code
- 28-36/37-36/37/39-26-23
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H311-H332-H373-H302+H312+H332-H315-H319-H302
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P302+P352-P309-P310
Chemistry & industry
Applications
Uses4-Bromo-3-chloroaniline is a precursor or building block in medicine, pesticide and dyestuffs.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Related reactions
46 records
Compound notes
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