Basic information
- Standard SMILES
Clc1ccc(Br)cc1Cl- InChIKey
CFPZDVAZISWERM-UHFFFAOYSA-N- Molecular formula
- C6H3BrCl2
- Average molar mass
- 225.89 g/mol
- Monoisotopic mass
- 223.87951756
Names & identifiers
- Preferred name
- 4-Bromo-1,2-dichlorobenzene
- IUPAC
- 4-bromo-1,2-dichlorobenzene
- English name
- 1-Bromo-3,4-dichlorobenzene
- Molecular formula
- C6H3BrCl2
- Molecular weight
- 225.9
Names & synonyms
18282-59-24-BROMO-1,2-DICHLOROBENZENE1-Bromo-3,4-dichlorobenzeneBenzene, 4-bromo-1,2-dichloro-3,4-dichloro-1-bromobenzeneEINECS 242-160-61,2-dichloro-4-bromobenzeneXE64D7GD53DTXSID2066353EC 242-160-6RefChem:518809DTXCID6035815
Show more names
4-Bromo-1,2-dichL1-Bromo-3,4-dichloro4-DichlorobroMobenzene
242-160-63,4-DichlorobromobenzeneMFCD000408494-bromo-1,2-dichloro-benzene4-brom-1,2-dichlorbenzol3,4-Dichlorophenyl bromide5-Bromdichlorbenzol3,4-dichloro-bromobenzene
Database identifiers
- CAS
18282-59-2- PubChem CID
- 29013
- DTXSID
DTXSID2066353- UNII
- XE64D7GD53
- EC Number
- 242-160-6
- Nikkaji
- J31.736E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 24 · 24-25 °C(lit.)
- Boiling point
- 124 °C33 · 124 °C33 mm Hg(lit.)
- Density
- 1.761 g/mL · 1.761 g/mL at 25 °C(lit.)
- vapor pressure
- 0.6 · 0.6-25Pa at 20-50℃
- refractive index
- 20 · n20/D 1.599(lit.)
- Flash point
- 189 °F · 189 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid After Melting
- color
- Clear slightly yellow
- Water Solubility
- insoluble
- BRN
- 1635735 · 1635735
- InChI
- 1S/C6H3BrCl2/c7-4-1-2-5(8)6(9)3-4/h1-3H
- InChIKey
- CFPZDVAZISWERM-UHFFFAOYSA-N
- SMILES
- Clc1ccc(Br)cc1Cl
- LogP
- 4.3 at · 4.3 at 25℃ and pH7
- CAS DataBase Reference
- 18282 · 18282-59-2(CAS DataBase Reference)
- FDA UNII
- 64 D7GD53 · XE64D7GD53
- NIST Chemistry Reference
- 4 · Benzene, 4-bromo-1,2-dichloro-(18282-59-2)
- EPA Substance Registry System
- 4 · Benzene, 4-bromo-1,2-dichloro- (18282-59-2)
- 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
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-28A
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29039990 · 29039990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (45.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 91 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 15-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5735
Hazard Classes and CategoriesAcute Tox. 4 (45.1%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29039990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-28A
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 4-bromo-1,2-dichloro-: ACTIVE
Applications
Uses4-Bromo-1,2-dichlorobenzene participates in the synthesis of N-arylated sultams.
General Description4-Bromo-1,2-dichlorobenzene participates in the synthesis of N-arylated sultams.
Upstream & downstream products
Upstream raw materials
Downstream products
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