Basic information
- CAS
37131-89-8- Standard SMILES
O=C(O)c1cnc(Cl)nc1Cl- InChIKey
IVIHUCXXDVVSBH-UHFFFAOYSA-N- Molecular formula
- C5H2Cl2N2O2
- Average molar mass
- 192.98 g/mol
- Monoisotopic mass
- 191.94933266
Names & identifiers
- Preferred name
- 2,4-Dichloro-5-pyrimidinecarboxylic acid
- IUPAC
- 2,4-dichloropyrimidine-5-carboxylic acid
- English name
- 2,4-Dichloropyrimidine-5-carboxylic acid
- Molecular formula
- C5H2Cl2N2O2
- Molecular weight
- 192.99
Names & synonyms
2,4-Dichloro-5-pyrimidinecarboxylic acidRefChem:4433162,4-dichloropyrimidine-5-carboxylic acid37131-89-8MFCD099991335-Pyrimidinecarboxylic acid, 2,4-dichloro-SCHEMBL721758AKOS005259028DS-105492,4-Dichloro-pyrimidine-5-carboxylic acid2,4-Dichloropyrimidine-5-carboxylic acid, 97%2,4-Dichloropyrimidine-5-carboxylicacid
Show more names
Pyrazino[2,3-f][1,12]phenanthroline2,4-Dichloro-pyrimidin-5-carboxylic acid2,4-Dichloropyrimidine-5-carboxylic acid , 2,4-dichloropyrimidine-5-carboxylic acid
AM20090596FT-0647939DTXSID00620484IVIHUCXXDVVSBH-UHFFFAOYSA-N2,4-dichloropyrimidine-5-carboxyliAB55826AC-3073CS-W003719
Database identifiers
- CAS
37131-89-8- PubChem CID
- 21941896
- DTXSID
DTXSID00620484- EC Number
- 694-832-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 90 · 90-97 °C
- Boiling point
- 368.4 · 368.4±22.0 °C(Predicted)
- Density
- 1.718 · 1.718
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 0.97 · 0.97±0.32(Predicted)
- form
- solid
- color
- White
- InChI
- 1S/C5H2Cl2N2O2/c6-3-2(4(10)11)1-8-5(7)9-3/h1H,(H,10,11)
- InChIKey
- IVIHUCXXDVVSBH-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cnc(Cl)nc1Cl
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT-HARMFUL
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
Related reactions
5 records
Compound notes
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