2,3,6-Trichloroquinoxaline

HCID 18070
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Basic information

CAS
2958-87-4
Standard SMILES
Clc1ccc2nc(Cl)c(Cl)nc2c1
InChIKey
GZEGFNCRZUGIOB-UHFFFAOYSA-N
Molecular formula
C8H3Cl3N2
Average molar mass
233.5 g/mol
Monoisotopic mass
231.93618114

Names & identifiers

Preferred name
2,3,6-Trichloroquinoxaline
IUPAC
2,3,6-trichloroquinoxaline
English name
2,3,6-Trichloroquinoxaline
Molecular formula
C8H3Cl3N2
Molecular weight
233.48

Names & synonyms

2,3,6-Trichloroquinoxaline2958-87-4QUINOXALINE, 2,3,6-TRICHLORO-EINECS 220-987-3NSC 203052BRN 0007313DTXSID70627444-23-00-01231 (Beilstein Handbook Reference)RefChem:81435DTXCID7038022220-987-3GZEGFNCRZUGIOB-UHFFFAOYSA-N
Show more names
2,3,6-TrichloropyrimidineQuinoxaline, 2,3,6-trichloro.2,3,6-TRICHLOROQUINOXALINE 98%2,3,6-Trichloroquinoxaline ,98%6-chloro-2,3-dichloroquinoxaline
MFCD000067212,3,6-trichloro-quinoxalineNSC-203052NSC2030522,6-TrichloroquinoxalineQuinoxaline,3,6-trichloro-SCHEMBL404069SCHEMBL29581162

Database identifiers

CAS
2958-87-4
PubChem CID
18070
DTXSID
DTXSID7062744
UNII
A6A4BK2382
EC Number
220-987-3
Nikkaji
J84.974J

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
25.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Melting point
143 · 143-148 °C
Boiling point
373.7 °C · 373.7°C (rough estimate)
Density
1.6 · 1.600
refractive index
1.6 · 1.6000 (estimate)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
-6.29 · -6.29±0.48(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

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

tsca
TSCA listed
hs_code
29339900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationQuinoxaline, 2,3,6-trichloro-: INACTIVE

Upstream & downstream products

Suppliers79 total

河南萨克斯生物科技有限公司13803717460 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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