Basic information
- CAS
120285-29-2- Standard SMILES
O=Cc1c(Cl)ncc2ccccc12- InChIKey
HMSMGFVSFVMHFQ-UHFFFAOYSA-N- Molecular formula
- C10H6ClNO
- Average molar mass
- 191.61 g/mol
- Monoisotopic mass
- 191.01379149
Names & identifiers
- Preferred name
- 3-Chloroisoquinoline-4-carbaldehyde
- IUPAC
- 3-chloroisoquinoline-4-carbaldehyde
- English name
- 3-Chloroisoquinoline-4-carbaldehyde
- Molecular formula
- C10H6ClNO
- Molecular weight
- 191.61
Names & synonyms
3-Chloroisoquinoline-4-carbaldehyde120285-29-2DTXSID50561717RefChem:278607DTXCID20512493840-740-9MFCD13193417SCHEMBL9899762HMSMGFVSFVMHFQ-UHFFFAOYSA-N3-chloro-isoquinoline-4-carbaldehydeZB0389AKOS015919890
Show more names
4-Isoquinolinecarboxaldehyde, 3-chloro-AS-30895SY110888CS-0110033EN300-112540F612470
Database identifiers
- CAS
120285-29-2- PubChem CID
- 14567279
- DTXSID
DTXSID50561717- EC Number
- 840-740-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 360.5 · 360.5±22.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.04 · -0.04±0.31(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers21 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Aladdin Scientific[email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Related reactions
3 records
Compound notes
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