2-Methyl-4,5-diphenylthiazole

HCID 77365
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Basic information

CAS
3755-83-7
Standard SMILES
Cc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIKey
ZFYWCVZNRMSXBT-UHFFFAOYSA-N
Molecular formula
C16H13NS
Average molar mass
251.3 g/mol
Monoisotopic mass
251.07687059

Names & identifiers

Preferred name
2-Methyl-4,5-diphenylthiazole
IUPAC
2-methyl-4,5-diphenyl-1,3-thiazole
English name
4,5-Diphenyl-2-methylthiazole
Molecular formula
C16H13NS
Molecular weight
251.35

Names & synonyms

2-Methyl-4,5-diphenylthiazole3755-83-7EINECS 223-161-0DTXSID30190983NSC 59791RefChem:88109DTXCID70113474223-161-04,5-Diphenyl-2-methylthiazole2-methyl-4,5-diphenyl-1,3-thiazole2-Methyl-4,5-diphenyl-thiazoleMFCD00186396
Show more names
LABOTEST-BB LT014140502-Methyl-4,5-diphenylthiazole>2-METHYL-4,5-DIPHENYL-1,3-THIAZOLE
Thiazole, 2-methyl-4,5-diphenyl-NSC-59791F1143-6185NSC59791MUV3CE7C3QSCHEMBL526264SCHEMBL3026864CHEMBL1973954

Database identifiers

CAS
3755-83-7
PubChem CID
77365
DTXSID
DTXSID30190983
ChEMBL
CHEMBL1973954
UNII
MUV3CE7C3Q
EC Number
223-161-0
Nikkaji
J37.313C

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
41.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
18

Physicochemical properties

Melting point
44 · 44-50 °C (lit.)
storage temp.
2 · 2-8°C, stored under nitrogen
solubility
soluble in Methanol
form
powder to crystal
color
Light orange to Yellow to Green
InChI
1S/C16H13NS/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
UN 3335
hs_code
2934.10.2000
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Suppliers42 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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