3-Chloro-4-hydroxy-5-methoxybenzoic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
62936-23-6- Standard SMILES
COc1cc(C(=O)O)cc(Cl)c1O- InChIKey
XBRYEHVBBMSSCG-UHFFFAOYSA-N- Molecular formula
- C8H7ClO4
- Average molar mass
- 202.59 g/mol
- Monoisotopic mass
- 202.0032864
Names & identifiers
- Preferred name
- 3-Chloro-4-hydroxy-5-methoxybenzoic acid
- IUPAC
- 3-chloro-4-hydroxy-5-methoxybenzoic acid
- English name
- 5-CHLOROVANILLIC ACID
- Molecular formula
- C8H7ClO4
- Molecular weight
- 202.59
Names & synonyms
62936-23-63-CHLORO-4-HYDROXY-5-METHOXYBENZOIC ACIDEINECS 263-766-7DTXSID10978761NSC 45930RefChem:499980DTXCID201406071263-766-75-CHLOROVANILLIC ACID69845-52-9MFCD00016531Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-
Show more names
RARECHEM AL BE 06965-Chlorovanilic acid3-CHLOROVANILLIC ACIDLABOTEST-BB LT004553015-Chlorovanillicacid,tech.90%5-CHLOROVANILLIC ACID: TECH., 90%
3-chloro-4-hydroxy-5-methoxy Benzoic acid3-chloro-4-hydroxy-5-methoxy-benzoic acid5-chloro-4-hydroxy-3-methoxybenzoic acidNSC459305-chloro-vanillic acidCHLORO-4-HYDROXY-3-METHOXYBENZOIC ACIDSCHEMBL9858175-Chlorovanillic acid, tech. 90%
Database identifiers
- CAS
62936-23-6、69845-52-9- PubChem CID
- 44215
- DTXSID
DTXSID10978761- EC Number
- 263-766-7
- Nikkaji
- J267.390H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 240 · 240-242°C
- Boiling point
- 290.9 °C · 290.9°C (rough estimate)
- Density
- 1.41 · 1.4100 (rough estimate)
- refractive index
- 1.4327 · 1.4327 (estimate)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 4.08 · 4.08±0.10(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 2648897 · 2648897
- CAS DataBase Reference
- 62936 · 62936-23-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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 (20%): 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)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- hs_code
- 2918999090
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
7 records
Compound notes
Loading…