Basic information
- CAS
1810-71-5- Standard SMILES
Clc1ccc2cc(Br)ccc2n1- InChIKey
YXRDWUJAJLDABJ-UHFFFAOYSA-N- Molecular formula
- C9H5BrClN
- Average molar mass
- 242.5 g/mol
- Monoisotopic mass
- 240.92938894
Overview
structure in first source
Names & identifiers
- Preferred name
- 6-Bromo-2-chloroquinoline
- IUPAC
- 6-bromo-2-chloroquinoline
- English name
- 6-Bromo-2-chloro-quinoline
- Molecular formula
- C9H5BrClN
- Molecular weight
- 242.5
Names & synonyms
6-Bromo-2-chloroquinoline1810-71-5DTXSID60512472RefChem:104284DTXCID20463279675-964-46-Bromo-2-chloro-quinolineQuinoline, 6-bromo-2-chloro-MFCD041152722-CHLORO-6-BROMOQUINOLINE2-chloro-6-bromo-quinolineCS-W003178
Show more names
6-broMo-2-chloro-6-Bromo-2-chloroquinoline,96%4,4'',4''-TRIIODOTRIPHENYLAMINE6-Bromo-2-chloro-1-azanaphthalene6-BROMO-2-CHLORO-QUINOLINE ISO 9001：2015 REACH
HY-W003178PB12313SY006768B5628F9995-14636-Bromo-2-chloroquinoli6-Bromo-2 chloroquinoline6-bromo-2-chloroquino-line
Database identifiers
- CAS
1810-71-5- PubChem CID
- 12894086
- DTXSID
DTXSID60512472- EC Number
- 675-964-4
- Nikkaji
- J2.669.163J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 148 · 148-150℃
- Boiling point
- 325.7 · 325.7±22.0 °C(Predicted)
- Density
- 1.673 · 1.673±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Soluble in Chloroform and Methanol
- form
- Solid
- pka
- -0.48 · -0.48±0.43(Predicted)
- color
- White Crystalline
- InChI
- InChI=1S/C9H5BrClN/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
- InChIKey
- YXRDWUJAJLDABJ-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC(Br)=CC=2)C=CC=1Cl
- CAS DataBase Reference
- 1810 · 1810-71-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 6 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 (16.7%)
Safety data
- ridadr
- UN2811
- hs_code
- 2933499090
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesIt is used as a pharmaceutical intermediate.
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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
28 records
Compound notes
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