Basic information
- CAS
873-38-1- Standard SMILES
Nc1ccc(Cl)cc1Br- InChIKey
SYTBIFURTZACKR-UHFFFAOYSA-N- Molecular formula
- C6H5BrClN
- Average molar mass
- 206.47 g/mol
- Monoisotopic mass
- 204.92938894
Names & identifiers
- Preferred name
- 2-Bromo-4-chloroaniline
- IUPAC
- 2-bromo-4-chloroaniline
- English name
- 2-Bromo-4-chloroaniline
- Molecular formula
- C6H5BrClN
- Molecular weight
- 206.47
Names & synonyms
Show more names
Database identifiers
- CAS
873-38-1- PubChem CID
- 70110
- DTXSID
DTXSID90236270- UNII
- AA3RNN5H9J
- EC Number
- 212-837-0
- Nikkaji
- J195.153J
Properties
Computed structural properties
- XLogP
- 3
- 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
- 64 · 64-68 °C (lit.)
- Boiling point
- 127 °C · 127°C 14mm
- Density
- 1.722 · 1.722±0.06 g/cm3(Predicted)
- Flash point
- 127 °C/20mm · 127°C/20mm
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- pka
- 1.9 · 1.90±0.10(Predicted)
- form
- Crystalline Powder
- color
- Pale brown
- BRN
- 2802563 · 2802563
- InChI
- InChI=1S/C6H5BrClN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
- InChIKey
- SYTBIFURTZACKR-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(Cl)C=C1Br
- CAS DataBase Reference
- 873 · 873-38-1(CAS DataBase Reference)
- FDA UNII
- 3 RNN5H9J · AA3RNN5H9J
- NIST Chemistry Reference
- 2 · 2-Bromo-4-chloroaniline(873-38-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS06,GHS08
- Signal word
- Warning
- Hazard statements
- 301 · H301-H302+H312+H332-H302-H311-H332-H373-H315-H319-H335
- Precautionary statements
- 280 h-P302+P352-P309-P310-P261-P305+P351+P338-P280a-P301+P310a-P405-P501a-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-P261-P305+P351+P338-P280a-P301+P310a-P405-P501a-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- 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
- RIDADR
- 2811 · UN2811
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful
- 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
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN2811
- hs_code
- 29214200
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06,GHS08
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301-H302+H312+H332-H302-H311-H332-H373-H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280h-P302+P352-P309-P310-P261-P305+P351+P338-P280a-P301+P310a-P405-P501a-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
Uses2-Bromo-4-chloroaniline may be used in the preparation of:2-bromo-4-chloro-N-tosylaniline2-bromo-4-chlorothiophenol7-chloro-4a-methyl-4,4a,9,9a-tetrahydro-1H-carbazol-2(3H)-one
General Description2-Bromo-4-chloroaniline is a 2-bromo-4-substituted aniline that can be prepared from 4-chloroaniline via electrophilic bromination.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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