5-Chloro-3-phenyl-1,2,4-thiadiazole

HCID 32262
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Basic information

CAS
24255-23-0
Standard SMILES
Clc1nc(-c2ccccc2)ns1
InChIKey
FJDVOZDQWUMILL-UHFFFAOYSA-N
Molecular formula
C8H5ClN2S
Average molar mass
196.66 g/mol
Monoisotopic mass
195.98619684

Names & identifiers

Preferred name
5-Chloro-3-phenyl-1,2,4-thiadiazole
IUPAC
5-chloro-3-phenyl-1,2,4-thiadiazole
English name
5-Chloro-3-phenyl-1,2,4-thiadiazole
Molecular formula
C8H5ClN2S
Molecular weight
196.66

Names & synonyms

5-CHLORO-3-PHENYL-1,2,4-THIADIAZOLEDTXSID80178953RefChem:534737DTXCID40101444834-108-124255-23-05-Chloro-3-phenyl-[1,2,4]thiadiazole1,2,4-Thiadiazole, 5-chloro-3-phenyl-MFCD00096450NSC518113SCHEMBL930343ZAA25523
Show more names
SBB092073AKOS004904277AS-5184NSC 518113NSC-5181131,4-Thiadiazole, 5-chloro-3-phenyl-DA-203765-Chloro-3-phenyl-1,2,4-thiadiazole #

Database identifiers

CAS
24255-23-0
PubChem CID
32262
DTXSID
DTXSID80178953
EC Number
834-108-1
Nikkaji
J102.251B

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
52 °C · 52 °C
Boiling point
115 °C · 115 °C(Press: 3 Torr)
Density
1.379 · 1.379±0.06 g/cm3(Predicted)
pka
-2.43 · -2.43±0.30(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

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

hs_code
2934999090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H319-H335-H315-H302+H312+H332
Precautionary statements
P280-P301+P312-P362+P364

Chemistry & industry

Suppliers7 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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