Basic information
- CAS
82477-68-7- Standard SMILES
COc1cc(Cl)cc(CO)c1- InChIKey
OELQQMWFPQWRGF-UHFFFAOYSA-N- Molecular formula
- C8H9ClO2
- Average molar mass
- 172.61 g/mol
- Monoisotopic mass
- 172.02910721
Names & identifiers
- Preferred name
- (3-Chloro-5-methoxyphenyl)methanol
- IUPAC
- (3-chloro-5-methoxyphenyl)methanol
- English name
- (3-CHLORO-5-METHOXYPHENYL)METHANOL
- Molecular formula
- C8H9ClO2
- Molecular weight
- 172.61
Names & synonyms
(3-CHLORO-5-METHOXYPHENYL)METHANOL82477-68-73-CHLORO-5-METHOXYBENZYL ALCOHOL3-chloro-5-methoxyphenyl methanolMFCD08234652Benzenemethanol, 3-chloro-5-methoxy-SCHEMBL586319SCHEMBL3933664SCHEMBL16960019DTXSID60512715OELQQMWFPQWRGF-UHFFFAOYSA-NHDA47768
Show more names
(3-chloro-5-methoxy-phenyl)methanolAKOS006284493MB05597AS-47390CS-0139074F13565EN300-3472476F321647
Database identifiers
- CAS
82477-68-7- PubChem CID
- 12909342
- DTXSID
DTXSID60512715
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 37 · 37-38 °C
- Boiling point
- 130 °C · 130 °C(Press: 0.2 Torr)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.13 · 14.13±0.10(Predicted)
- form
- fused solid
- color
- Off white to faint lemon, waxy
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2909498090 · 2909498090
Safety & regulation
Safety data
- hs_code
- 2909498090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers13 total
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
南京政琦科技有限公司19853943728 19853943728 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
米诺化工有限公司0086-15313090952
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
16 records
Compound notes
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