4-Cyanothiazole

HCID 15069CAS 1452-15-9
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1cscn1
InChIKey
PNAFRZGWUVQUKH-UHFFFAOYSA-N
Molecular formula
C4H2N2S
Average molar mass
110.14 g/mol
Monoisotopic mass
109.99386925

Names & identifiers

Preferred name
4-Cyanothiazole
IUPAC
1,3-thiazole-4-carbonitrile
English name
4-CYANOTHIAZOLE
Molecular formula
C4H2N2S
Molecular weight
110.14

Names & synonyms

4-CYANOTHIAZOLE1452-15-94-ThiazolecarbonitrileDTXSID3027401UNII-F11233V4YMHSDB 5829F11233V4YMEINECS 215-919-4DTXCID9074014-THIAZOLECARBONITRILE [HSDB]4ThiazolecarbonitrileRefChem:98659
Show more names
215-919-41,3-thiazole-4-carbonitrilethiazole-4-carbonitrileMFCD001378174-cyanothiazole, AldrichCPRSCHEMBL313087SCHEMBL446583SCHEMBL2047043

Database identifiers

CAS
1452-15-9
PubChem CID
15069
DTXSID
DTXSID3027401
ChEMBL
CHEMBL3182229
UNII
F11233V4YM
EC Number
215-919-4
Nikkaji
J565G

Properties

Computed structural properties

XLogP
1
Topological polar surface area
64.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
7

Physicochemical properties

Melting point
60 · 60-61℃
Boiling point
100 · 100-120℃ (20 Torr)
Density
1.393 · 1.393 (estimate)
refractive index
1.55 · 1.5500 (estimate)
storage temp.
Sealed in dry,Room Temperature
pka
-1.45 · -1.45±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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

Hazards SummarySee NITRILES. See 3-Cyanopyridine.
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

tsca
TSCA listed
ridadr
3275
hs_code
2934100090
risk_code
10-20/21/22-36
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as a chemical intermediate for Thiabendazole (antiparasitic agent); [HSDB]

CHEM INT FOR THIABENDAZOLE (ANTIPARASITIC AGENT)

U.S. Exports · 2 items

(1979) No Data

(1981) No Data

U.S. Imports · 2 items

(1979) No Data

(1981) No Data

U.S. Production · 2 items

(1979) No Data

(1981) No Data

Methods of ManufacturingPROBABLY BY REACTION OF 4-METHYLTHIAZOLE WITH AIR & AMMONIA IN A VAPOR-PHASE PROCESSS OVER A CATALYST
General Manufacturing Information4-Thiazolecarbonitrile: INACTIVE

Applications

Uses4-Cyanothiazole is a useful pharamaceutical intermediate.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

河北凡博医药科技有限公司15588346797
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

Related reactions

8 records
New reaction record

Linked notes

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