Basic information
- CAS
20624-92-4- Standard SMILES
COc1cc(CO)cc(Cl)c1O- InChIKey
VQEZBFOBPUKDGM-UHFFFAOYSA-N- Molecular formula
- C8H9ClO3
- Average molar mass
- 188.61 g/mol
- Monoisotopic mass
- 188.02402183
Names & identifiers
- Preferred name
- 3-Chloro-4-hydroxy-5-methoxybenzyl alcohol
- IUPAC
- 2-chloro-4-(hydroxymethyl)-6-methoxyphenol
- English name
- 5-CHLOROVANILLYL ALCOHOL
- Molecular formula
- C8H9ClO3
- Molecular weight
- 188.61
Names & synonyms
3-CHLORO-4-HYDROXY-5-METHOXYBENZYL ALCOHOLRefChem:499981653-916-35-Chlorovanillyl alcohol20624-92-42-chloro-4-(hydroxymethyl)-6-methoxyphenolBenzenemethanol, 3-chloro-4-hydroxy-5-methoxy-MFCD00016870SCHEMBL4825263DTXSID50400394VQEZBFOBPUKDGM-UHFFFAOYSA-NAKOS000126570
Show more names
RARECHEM AL BD 06965-CHLORO-4-HYDROXY-3-METHOXYBENZYL ALCOHOL3-chloro-4-hydroxy-5-methoxyBenzenemethanol
FC70152AS-75757DA-083875-Chloro-3-methoxy-4-hydroxybenzylalcohol6-chloro-4-(hydroxymethyl)-2-methoxyphenolCS-0336504ST504102342-chloro-4-(hydroxymethyl)-6-methoxy-phenol
Database identifiers
- CAS
20624-92-4- PubChem CID
- 4181655
- DTXSID
DTXSID50400394- EC Number
- 653-916-3
- Nikkaji
- J733.666G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 115 · 115-118°C
- Boiling point
- 319.5 · 319.5±37.0 °C(Predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- pka
- 8.29 · 8.29±0.23(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers17 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安徽合诺生物科技有限公司0555-2761852
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
安徽合诺生物科技有限公司18455579438
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.
Related reactions
3 records
Compound notes
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