Basic information
- CAS
4853-52-5- Standard SMILES
Nc1nc(Cl)c(Cl)nc1C(=O)O- InChIKey
UFOUSHWZVOIJKK-UHFFFAOYSA-N- Molecular formula
- C5H3Cl2N3O2
- Average molar mass
- 208 g/mol
- Monoisotopic mass
- 206.9602317
Names & identifiers
- Preferred name
- 3-Amino-5,6-dichloropyrazine-2-carboxylic acid
- IUPAC
- 3-amino-5,6-dichloropyrazine-2-carboxylic acid
- English name
- 3-aMino-5,6-dichloropyrazine-2-carboxylic acid
- Molecular formula
- C5H3Cl2N3O2
- Molecular weight
- 208
Names & synonyms
3-Amino-5,6-dichloropyrazine-2-carboxylic acid4853-52-5DTXSID90321877RefChem:276510DTXCID90272996866-048-7MFCD16657584NSC3826813-amino-5,6-dichloro-pyrazine-2-carboxylic acidPyrazinecarboxylic acid, 3-amino-5,6-dichloro-SCHEMBL3793535SCHEMBL29768708
Show more names
2-Pyrazinecarboxylic acid, 3-aMino-5,6-dichloro-
UFOUSHWZVOIJKK-UHFFFAOYSA-NAKOS016001906DS-3581NSC 382681NSC-382681SY103128CS-00056333-amino-5,6-dichloropyrazine carboxylic acid
Database identifiers
- CAS
4853-52-5- PubChem CID
- 343271
- DTXSID
DTXSID90321877- EC Number
- 866-048-7
- Nikkaji
- J418.969H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 227 °C · 227 °C (decomp)
- Boiling point
- 424.5 · 424.5±45.0 °C(Predicted)
- Density
- 1.815 · 1.815±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.05 · 3.05±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers25 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
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]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
Related reactions
5 records
Compound notes
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