Basic information
- CAS
36335-47-4- Standard SMILES
COc1ccc(Cl)c(OC)c1C(=O)O- InChIKey
CLZTVXIMOQUOEI-UHFFFAOYSA-N- Molecular formula
- C9H9ClO4
- Average molar mass
- 216.62 g/mol
- Monoisotopic mass
- 216.0189365
Names & identifiers
- Preferred name
- 3-Chloro-2,6-dimethoxybenzoic acid
- IUPAC
- 3-chloro-2,6-dimethoxybenzoic acid
- English name
- 3-CHLORO-2,6-DIMETHOXYBENZOIC ACID, 97
- Molecular formula
- C9H9ClO4
- Molecular weight
- 216.62
Names & synonyms
3-Chloro-2,6-dimethoxybenzoic acid36335-47-4DTXSID50346440RefChem:278130DTXCID80297512CLZTVXIMOQUOEI-UHFFFAOYSA-NMFCD000529343-CHLORO-2,6-DIMETHOXYBENZOIC ACID, 97Maybridge1_001902HMS546O102,6-dimethoxy-3-chlorobenzoic acidBenzoic acid,3-chloro-2,6-dimethoxy-
Show more names
Benzoic acid, 3-chloro-2,6-dimethoxy-
SCHEMBL3527405SCHEMBL29495000CHEBI:1836623-Chloro-2,6-dimethoxybenzoicacid3-Chloro-2,6-dimethoxy-benzoic acidAKOS023638181AS-8780CCG-233699
Database identifiers
- CAS
36335-47-4- PubChem CID
- 612199
- DTXSID
DTXSID50346440- ChEBI
CHEBI:183662- EC Number
- 106-589-1
- Nikkaji
- J26.904B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 131 · 131-133°C
- storage temp.
- Store at room temperature
- form
- crystalline solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2918999090 · 2918999090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2918999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers18 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安徽合诺生物科技有限公司18455579438
天津林宸科技有限公司15122256084 15122256084 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
4 records
Compound notes
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