CAS 98136-42-6 2,6-Dichloropyrimidine-4-carboxamide (HCID 241128)

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Basic information

CAS: 98136-42-6
Standard SMILES: NC(=O)c1cc(Cl)nc(Cl)n1
InChIKey: AAERXGWZYRXPRQ-UHFFFAOYSA-N
Molecular formula: C5H3Cl2N3O
Average molar mass: 192 g/mol
Monoisotopic mass: 190.9653171

Names & identifiers

Preferred name: 2,6-Dichloropyrimidine-4-carboxamide
IUPAC: 2,6-dichloropyrimidine-4-carboxamide
English name: 2,6-DichloropyriMidine-4-carboxaMide
Molecular formula: C5H3Cl2N3O
Molecular weight: 192

Names & synonyms

2,6-dichloropyrimidine-4-carboxamide98136-42-6DTXSID90286912RefChem:248307DTXCID20238060862-649-3MFCD09881209NSC48254SCHEMBL3659442AAERXGWZYRXPRQ-UHFFFAOYSA-N6-carbamoyl-2,4-dichloropyrimidineYDA13642

Show more names

4-Pyrimidinecarboxamide, 2,6-dichloro-2,4-di-chloropyrimidine-6-carboxylic acid amide2,6-Dichloro-pyrimidine-4-carboxylic acid amide

NSC-48254AKOS006313002SB57512BS-33429SY111600DB-329698CS-0055024D82358

Database identifiers

CAS: 98136-42-6
PubChem CID: 241128
DTXSID: DTXSID90286912
EC Number: 862-649-3

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 68.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 166

Physicochemical properties

storage temp.: Inert atmosphere,Room Temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H302-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H302-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501