Basic information
- CAS
72990-37-5- Standard SMILES
O=Cc1ccncc1Cl- InChIKey
ZVGDKOQPJCOCLI-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO
- Average molar mass
- 141.55 g/mol
- Monoisotopic mass
- 140.99814143
Names & identifiers
- Preferred name
- 3-Chloro-4-pyridinecarboxaldehyde
- IUPAC
- 3-chloropyridine-4-carbaldehyde
- English name
- 3-Chloroisonicotinaldehyde
- Molecular formula
- C6H4ClNO
- Molecular weight
- 141.56
Names & synonyms
3-Chloro-4-pyridinecarboxaldehydeRefChem:500040628-105-23-Chloroisonicotinaldehyde72990-37-53-chloropyridine-4-carbaldehyde3-Chloropyridine-4-carboxaldehyde3-Chloro-4-pyridinecarbaldehydeMFCD062007124-Pyridinecarboxaldehyde, 3-chloro-DTXSID50376646AC-7159
Show more names
3-CHLORO-4-FORMYLPYRIDINE3-Chloronocotincarboxaldehyde3-Chloro-4-pyridinecarboxaldehyde >3-Chloro-4-pyridinecarboxaldehyde 97%3-chloro-2-forMylpyridine-4-carboxylic acid
3-Chloro-4-pyridinecarboxaldehyde, 97%3-Chloro-pyridine-4-carbaldehyde3-Chloroisonic3-Chloroisonicotinaldehyde, 98%A9453AM20061811SCHEMBL117895SCHEMBL20448758
Database identifiers
- CAS
72990-37-5- PubChem CID
- 2762995
- DTXSID
DTXSID50376646- EC Number
- 628-105-2
- Nikkaji
- J2.277.042J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- 58 · 58-62 °C(lit.)
- Boiling point
- 93 °C/6mmHg · 93°C/6mmHg(lit.)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- pka
- 0.97 · 0.97±0.18(Predicted)
- form
- Crystalline Powder
- color
- White to yellow
- Sensitive
- Air Sensitive
- InChI
- 1S/C6H4ClNO/c7-6-3-8-2-1-5(6)4-9/h1-4H
- InChIKey
- ZVGDKOQPJCOCLI-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccncc1Cl
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 22-36/38-43-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 37/39-36-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H317-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P280a-P301+P312a-P321-P501a-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280-P305+P351+P338
Chemistry & industry
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]
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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河北松辰医药科技有限公司
Related reactions
27 records
Compound notes
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