4-Chloro-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline

HCID 2768643
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Basic information

CAS
91895-39-5
Standard SMILES
Cc1nnc2c(Cl)nc3ccccc3n12
InChIKey
KJXIBZROUGENCF-UHFFFAOYSA-N
Molecular formula
C10H7ClN4
Average molar mass
218.64 g/mol
Monoisotopic mass
218.0359239

Names & identifiers

Preferred name
4-Chloro-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
IUPAC
4-chloro-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
English name
4-Chloro-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
Molecular formula
C10H7ClN4
Molecular weight
218.64

Names & synonyms

91895-39-54-chloro-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline4-chloro-1-methyl[1,2,4]triazolo[4,3-a]quinoxalineMFCD001407334-Chloro-1-methyl[1,2,4]triazolo[4,3-a] quinoxalineSCHEMBL7340914DTXSID40377662TQR0783SBB095664STK728474AKOS000435447MB00746
Show more names
4-Chloro-1-methyl[1,2,4]triazol[4,3-a]quinoxaline
CS-031443412E-939[1,2,4]Triazolo[4,3-a]quinoxaline, 4-chloro-1-methyl-4-chloro-1-methyl-10-hydro-1,2,4-triazolo[4,3-a]quinoxaline

Database identifiers

CAS
91895-39-5
PubChem CID
2768643
DTXSID
DTXSID40377662
Nikkaji
J3.062.087I

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
43.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
15

Physicochemical properties

Melting point
222 · 222-224°C
Density
1.54 · 1.54±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
-0.06 · -0.06±0.40(Predicted)
HazardClass
IRRITANT
HS Code
2933998090 · 2933998090

Safety & regulation

Safety data

hs_code
2933998090
hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Suppliers10 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]

Related reactions

13 records
New reaction record

Compound notes

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