Basic information
- CAS
5430-45-5- Standard SMILES
Clc1cccc2cnccc12- InChIKey
PJHSMEMFNSINJE-UHFFFAOYSA-N- Molecular formula
- C9H6ClN
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.0188769
Names & identifiers
- Preferred name
- 5-Chloroisoquinoline
- IUPAC
- 5-chloroisoquinoline
- English name
- 5-CHLOROISOQUINOLINE
- Molecular formula
- C9H6ClN
- Molecular weight
- 163.6
Names & synonyms
5-chloroisoquinoline5430-45-55-Chloro-isoquinolineisoquinoline, 5-chloro-MFCD02683295NSC137995-Chloroisoquinoline, 97%orb2646281SCHEMBL3805113SCHEMBL9479816SCHEMBL28610411SCHEMBL30070982
Show more names
NSC 137995-CHLORISOQUINOLIN5-Chloroisoquinolinisoquinoline, 5-chloro5-CHLOROISOQUINOLINE ISO 9001：2015 REACH
DTXSID00279714PJHSMEMFNSINJE-UHFFFAOYSA-NBDBM753522US12338238, Example 42GEO-03593NSC-13799AKOS005255172CS-W008341
Database identifiers
- CAS
5430-45-5- PubChem CID
- 224933
- DTXSID
DTXSID00279714- EC Number
- 687-023-5
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 69 · 69-73 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White
- InChI
- 1S/C9H6ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H
- InChIKey
- PJHSMEMFNSINJE-UHFFFAOYSA-N
- SMILES
- Clc1cccc2cnccc12
- CAS DataBase Reference
- 5430 · 5430-45-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H318
- Precautionary statements
- 280 · P280-P301+P310+P330-P305+P351+P338+P310
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
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 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Safety data
- wgk
- 3
- ridadr
- UN 2811
- hs_code
- 2933499090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xn
- safety_code
- 26-39
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- Ⅲ
- Hazard statements
- H301-H318
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P280-P301+P310+P330-P305+P351+P338+P310
Chemistry & industry
Applications
Uses5-Chloroisoquinoline (compound 42) is an inhibitor of SARM1 (Sterile alpha and toll/interleukin receptor (TIR) motif containing protein 1), an enzyme involved in axon degeneration that catalyzes multiple activities through a ternary complex mechanism. 5-Chloroisoquinoline can be used in the study of neurodegenerative diseases or axon degeneration[1].
Upstream & downstream products
Upstream raw materials
Suppliers74 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [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
Related reactions
4 records
Compound notes
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