Basic information
- CAS
82668-20-0- Standard SMILES
COc1c(O)ccc(C=O)c1Cl- InChIKey
TZGDDUJFJAZQEB-UHFFFAOYSA-N- Molecular formula
- C8H7ClO3
- Average molar mass
- 186.59 g/mol
- Monoisotopic mass
- 186.0083718
Names & identifiers
- Preferred name
- 2-Chloro-4-hydroxy-3-methoxybenzaldehyde
- IUPAC
- 2-chloro-4-hydroxy-3-methoxybenzaldehyde
- English name
- 2-chloro-4-hydroxy-3-methoxy-benzaldehyde
- Molecular formula
- C8H7ClO3
- Molecular weight
- 186.59
Names & synonyms
2-chloro-4-hydroxy-3-methoxybenzaldehydeDTXSID601002837RefChem:469004DTXCID101429767869-443-282668-20-02-CHLORO-4-HYDROXY-3-METHOXY-BENZALDEHYDE2-ChlorovanillinBenzaldehyde,2-chloro-4-hydroxy-3-methoxy-Benzaldehyde, 2-chloro-4-hydroxy-3-methoxy-NSC95685NCIOpen2_001739
Show more names
2-chloro-4-hydroxy-3-Methoxy-2-Chloro-3-methoxy-4-hydroxybenzaldehyde
SCHEMBL3432498SCHEMBL31269431CS-B0144HDA66820MFCD11042341NSC 95685NSC-95685AKOS006307047
Database identifiers
- CAS
82668-20-0- PubChem CID
- 54902
- DTXSID
DTXSID601002837- EC Number
- 869-443-2
- Nikkaji
- J451.251K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 186 · 186-187 °C
- Boiling point
- 304.2 · 304.2±37.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- pka
- 6.83 · 6.83±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2913000090 · 2913000090
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
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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