Basic information
- CAS
887707-33-7- Standard SMILES
FC(F)(F)c1cc(CCl)cnc1Cl- InChIKey
PCJYQUIGRBJXOM-UHFFFAOYSA-N- Molecular formula
- C7H4Cl2F3N
- Average molar mass
- 230.01 g/mol
- Monoisotopic mass
- 228.967289
Names & identifiers
- Preferred name
- 2-Chloro-5-(chloromethyl)-3-(trifluoromethyl)pyridine
- IUPAC
- 2-chloro-5-(chloromethyl)-3-(trifluoromethyl)pyridine
- English name
- 5-(Chloromethyl)-2-methoxy-3-(trifluoromethyl)-pyridine
- Molecular formula
- C7H4Cl2F3N
- Molecular weight
- 230.01
Names & synonyms
2-chloro-5-(chloromethyl)-3-(trifluoromethyl)pyridine887707-33-7RefChem:2588825-(CHLOROMETHYL)-2-METHOXY-3-(TRIFLUOROMETHYL)-PYRIDINE2-Chloro-5-chloromethyl-3-(trifluoromethyl)pyridineSCHEMBL1919665MFCD09261086AB75310EN300-8160901Pyridine, 2-chloro-5-(chloromethyl)-3-(trifluoromethyl)-Pyridine, 5-(chloroMethyl)-2-Methoxy-3-(trifluoroMethyl)-
Database identifiers
- CAS
887707-33-7- PubChem CID
- 11615549
- EC Number
- 984-438-6
- Nikkaji
- J2.322.345G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 250.1 · 250.1±35.0 °C(Predicted)
- Density
- 1.476 · 1.476±0.06 g/cm3(Predicted)
- pka
- -2.56 · -2.56±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [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025-58859352 17714375163 · [email protected]
陕西休克派生物科技有限公司18392735417 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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