Basic information
- CAS
62882-02-4- Standard SMILES
Clc1ccc2cnccc2c1- InChIKey
NCJNOOHAQSFEJN-UHFFFAOYSA-N- Molecular formula
- C9H6ClN
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.0188769
Names & identifiers
- Preferred name
- 6-Chloroisoquinoline
- IUPAC
- 6-chloroisoquinoline
- English name
- Isoquinoline, 6-chloro- (6CI,9CI)
- Molecular formula
- C9H6ClN
- Molecular weight
- 163.6
Names & synonyms
6-Chloroisoquinoline62882-02-4DTXSID90494878RefChem:308131DTXCID904456886-chloro-IsoquinolineMFCD09991646Isoquinoline, 6-chloro- (6CI,9CI)Isoquinoline, 6-chloro-SCHEMBL209296SCHEMBL209443SCHEMBL1538404
Show more names
Isoquinoline, 6-chloro- (6CI,9CI) ISO 9001：2015 REACH
SCHEMBL7530625SCHEMBL30012364NCJNOOHAQSFEJN-UHFFFAOYSA-N6-Chloro-Isoquinoline, (6CI,9CI)AKOS006313216CS-W003710FS-2454MB08350
Database identifiers
- CAS
62882-02-4- PubChem CID
- 12371746
- DTXSID
DTXSID90494878- EC Number
- 103-923-8
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 39 · 39-40 °C
- Boiling point
- 38 · 38-39 °C
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.83 · 4.83±0.10(Predicted)
- Appearance
- White to light yellow Solid
- InChI
- InChI=1S/C9H6ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H
- InChIKey
- NCJNOOHAQSFEJN-UHFFFAOYSA-N
- SMILES
- C1C2=C(C=C(Cl)C=C2)C=CN=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
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
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers100 total
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
2 records
Compound notes
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