Basic information
- Standard SMILES
O=Cc1ccc(Cl)nc1- InChIKey
AFWWKZCPPRPDQK-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO
- Average molar mass
- 141.55 g/mol
- Monoisotopic mass
- 140.99814143
Names & identifiers
- Preferred name
- 6-Chloropyridine-3-carbaldehyde
- IUPAC
- 6-chloropyridine-3-carbaldehyde
- English name
- 2-Chloropyridine-5-carbaldehyde
- Molecular formula
- C6H4ClNO
- Molecular weight
- 141.56
Names & synonyms
6-chloropyridine-3-carbaldehydeRefChem:541980627-646-16-Chloronicotinaldehyde23100-12-12-chloropyridine-5-carbaldehyde2-Chloropyridine-5-carboxaldehyde6-Chloropyridine-3-carboxaldehyde2-chloro-5-formylpyridine3-Pyridinecarboxaldehyde, 6-chloro-MFCD030952236-Chloro-pyridine-3-carbaldehyde
Show more names
TIMTEC-BB SBB0041572-Chloropyridine-5-coropyridine-5-carbaL6-ChloronicotildehydeLazabemide Impurity 1316-Chloronicotinaldehyde 97%6-CHLORO-PYRIDIN-3-CARBALDEHYDE
6-Chloro-3-pyridinecarboxaldehyde2-Chloro-5-pyridinecarboxaldehyde6-Chloronicotinic aldehide2-chloro-5-pyridinecarbaldehydeAKOS0050705355L-349SPB185866-Chloro-3-pyridinecarbaldehyde
Database identifiers
- CAS
23100-12-1- PubChem CID
- 2764053
- DTXSID
DTXSID10377270- ChEMBL
CHEMBL2228157- UNII
- BST7L6RC52
- EC Number
- 627-646-1
- Nikkaji
- J556.601K
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 77 · 77-81 °C(lit.)
- Boiling point
- 117 · 117-119 °C(Press: 5 Torr)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -1.85 · -1.85±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to yellow
- Water Solubility
- Soluble in water.
- InChI
- InChI=1S/C6H4ClNO/c7-6-2-1-5(4-9)3-8-6/h1-4H
- InChIKey
- AFWWKZCPPRPDQK-UHFFFAOYSA-N
- SMILES
- C1=NC(Cl)=CC=C1C=O
- CAS DataBase Reference
- 23100 · 23100-12-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloropyridine-5-carboxaldehyde is used as pharmaceutical intermediates
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
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湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
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Related reactions
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