Basic information
- CAS
5439-08-7- Standard SMILES
COC(=O)c1ncc(Cl)cc1Cl- InChIKey
SBQBPKUDXAELAZ-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2NO2
- Average molar mass
- 206.02 g/mol
- Monoisotopic mass
- 204.9697338
Names & identifiers
- Preferred name
- 3,5-Dichloro-pyridine-2-carboxylic acid methyl ester
- IUPAC
- methyl 3,5-dichloropyridine-2-carboxylate
- English name
- Methyl 3,5-dichloropicolinate
- Molecular formula
- C7H5Cl2NO2
- Molecular weight
- 206.03
Names & synonyms
3,5-dichloro-pyridine-2-carboxylic acid methyl esterRefChem:486751898-087-0Methyl 3,5-dichloropicolinate5439-08-7methyl 3,5-dichloropyridine-2-carboxylateMFCD098391472-Pyridinecarboxylic acid, 3,5-dichloro-, methyl esterMethyl3,5-dichloropicolinateNSC150542-Pyridinecarboxylicacid, 3,5-dichloro-, methyl esterSCHEMBL1420843
Show more names
SCHEMBL29796660DTXSID00279996SBQBPKUDXAELAZ-UHFFFAOYSA-NALBB-036471NSC-15054AKOS016002510AS-6474SB37603
Database identifiers
- CAS
5439-08-7- PubChem CID
- 225523
- DTXSID
DTXSID00279996- EC Number
- 898-087-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 78 · 78-79 °C
- Boiling point
- 271.8 · 271.8±35.0 °C(Predicted)
- Density
- 1.426 · 1.426±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -3.19 · -3.19±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers14 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
山东轩鸿生物医药有限公司+86-0531-88801869 15090917080 · [email protected]
上海韶屹生物科技有限公司21-21-31590156 13042155638 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
1 records
Compound notes
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