Basic information
- CAS
20330-90-9- Standard SMILES
COC(=O)c1cc(Cl)cc(C(=O)OC)c1- InChIKey
CMMPMNSOVLQGMJ-UHFFFAOYSA-N- Molecular formula
- C10H9ClO4
- Average molar mass
- 228.63 g/mol
- Monoisotopic mass
- 228.01893645
Names & identifiers
- Preferred name
- Dimethyl 5-chloroisophthalate
- IUPAC
- dimethyl 5-chlorobenzene-1,3-dicarboxylate
- English name
- Dimethyl 5-chloroisophthalate
- Molecular formula
- C10H9ClO4
- Molecular weight
- 228.63
Names & synonyms
Dimethyl 5-chloroisophthalateDTXSID10279740RefChem:134216DTXCID90230894674-230-0CMMPMNSOVLQGMJ-UHFFFAOYSA-N20330-90-9dimethyl 5-chlorobenzene-1,3-dicarboxylateMFCD000797521,3-Benzenedicarboxylic acid, 5-chloro-, 1,3-dimethyl esterCK1105AKOS004903294
Show more names
NSC 13963NISTC203309095-chlorometabenzenedimacetic acidimethyl ester5-chloro-2,4-dimethylbenzene-1,3-dicarboxylate5-Chloro-1,3-benzenedicarboxylic acid 1,3-dimethyl ester
1,3-Benzenedicarboxylicacid, 5-chloro-, 1,3-dimethyl esterSY027453CS-01495815-chloroisophthalic acid dimethyl ester1,3-BenzenedicarboxylicaFT-0637980A814458SCHEMBL67540
Database identifiers
- CAS
20330-90-9- PubChem CID
- 224975
- DTXSID
DTXSID10279740- EC Number
- 674-230-0
- Nikkaji
- J802.740D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- 316 · 316.0±22.0 °C(Predicted)
- Density
- 1.29 · 1.290
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 20330 · 20330-90-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H332-H319-H312
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29173990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H335-H302-H315-H332-H319-H312
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers60 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司
Related reactions
11 records
Compound notes
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