Basic information
- CAS
169335-50-6- Standard SMILES
CC(C)(C)OC(=O)c1cnc(Cl)cn1- InChIKey
HVVYCXYNSSYJOR-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O2
- Average molar mass
- 214.65 g/mol
- Monoisotopic mass
- 214.05090527
Names & identifiers
- Preferred name
- tert-Butyl 5-chloropyrazine-2-carboxylate
- IUPAC
- tert-butyl 5-chloropyrazine-2-carboxylate
- English name
- 5-Chloro-pyrazine-2-carboxylic acid tert-butyl ester
- Molecular formula
- C9H11ClN2O2
- Molecular weight
- 214.65
Names & synonyms
tert-Butyl 5-chloropyrazine-2-carboxylate169335-50-6DTXSID10328106RefChem:383670DTXCID20279216892-952-6MFCD180708522-Pyrazinecarboxylicacid, 5-chloro-, 1,1-dimethylethyl ester5-Chloro-pyrazine-2-carboxylic acid tert-butyl esterNSC724001Tert-butyl 5-chloropyrazinoateCHEMBL333846
Show more names
Pyrazinecarboxylic acid, 5-chloro-, 1,1-dimethylethyl ester2-Pyrazinecarboxylic acid, 5-chloro-, 1,1-dimethylethyl ester
SCHEMBL2646157SCHEMBL31515460HVVYCXYNSSYJOR-UHFFFAOYSA-NEBC-06418AKOS026743440NSC-724001tert-Butyl5-chloropyrazine-2-carboxylateSY166219
Database identifiers
- CAS
169335-50-6- PubChem CID
- 406083
- DTXSID
DTXSID10328106- ChEMBL
CHEMBL333846- EC Number
- 892-952-6
- Nikkaji
- J718.407G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 277.8 · 277.8±35.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- pka
- -4.7 · -4.70±0.10(Predicted)
- Appearance
- White to off-white Solid
Safety & regulation
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers17 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [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]
台州川旭医药科技有限公司[email protected] · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
誉通医药科技（苏州）有限公司0512-15851462628 15851462628 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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