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About This Item
Empirical Formula (Hill Notation):
C12H13ClN4
CAS Number:
Molecular Weight:
248.71
EC Number:
200-364-2
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
219864
MDL number:
SMILES string
CCC1=NC(N)=NC(N)=C1C2=CC=C(Cl)C=C2
InChI
1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChI key
WKSAUQYGYAYLPV-UHFFFAOYSA-N
Gene Information
human ... CYP2C9(1559), DHFRP1(573971)
rat ... Dhfr(24312)
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Signal Word
Warning
Hazard Codes
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
WGK
WGK 3
PPE (personal protective equipment)
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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