Ethyl 2-bromo-1,3-thiazole-4-carboxylate

HCID 353965
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Basic information

CAS
100367-77-9
Standard SMILES
CCOC(=O)c1csc(Br)n1
InChIKey
CNHISCQPKKGDPO-UHFFFAOYSA-N
Molecular formula
C6H6BrNO2S
Average molar mass
236.09 g/mol
Monoisotopic mass
234.93026153

Names & identifiers

Preferred name
Ethyl 2-bromo-1,3-thiazole-4-carboxylate
IUPAC
ethyl 2-bromo-1,3-thiazole-4-carboxylate
English name
Ethyl 2-bromothiazole-4-carboxylate
Molecular formula
C6H6BrNO2S
Molecular weight
236.09

Names & synonyms

ethyl 2-bromo-1,3-thiazole-4-carboxylateRefChem:594232640-217-3Ethyl 2-bromothiazole-4-carboxylate100367-77-94-Thiazolecarboxylic acid, 2-bromo-, ethyl esterMFCD037885642-Bromothiazole-4-carboxylic acid ethyl esterETHYL-2-BROMOTHIAZOLE-4-CARBOXYLATE2-Bromo-thiazole-4-carboxylic acid ethyl esterEthyl2-bromothiazole-4-carboxylateETHYL 2-BROMO-4-THIAZOLECARBOXYLATE
Show more names
ethyl 2-broMo-thiazol-4-carboxylateEthyl2-Bromothiazole-4-carboxylate>Ethyl2-bromothiazole-4-carboxylate,97%2-Bromo-4-(ethoxycarbonyl)-1,3-thiazoleEthyl 2-bromothiazole-4-carboxylate 96%Ethyl 2-Bromothiazole-4-Carboxylate SKY2-bromo-4-thiazolecarboxylic acid ethyl ester
NSC603614SCHEMBL285573CHEMBL51723362-bromo-4-ethoxycarbonylthiazoleDTXSID70326608CNHISCQPKKGDPO-UHFFFAOYSA-NALBB-014309SBB053905

Database identifiers

CAS
100367-77-9
PubChem CID
353965
DTXSID
DTXSID70326608
ChEMBL
CHEMBL5172336
EC Number
640-217-3
Nikkaji
J2.599.870G

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
67.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Melting point
67 · 67-71 °C
Boiling point
154 °C/13mmHg · 154°C/13mmHg(lit.)
Density
1.654 · 1.654±0.06 g/cm3(Predicted)
Flash point
110 ℃ · >110℃
storage temp.
2 · 2-8°C
solubility
soluble in Methanol

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
2
hs_code
29341000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

UsesEthyl 2-bromothiazole-4-carboxylate is an essential organic reagent that can be used as a building block for the synthesis of many organic compounds, such as 4-Thiazolecarboxylic acid, Ethyl thiazole-4-carboxylate， 2-Bromothiazole-4-carboxylic acid and so on.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海亚兴生物医药科技有限公司021-58956006,021-58950017 15800617331 · [email protected]
南京德豪斯医药科技有限公司025-52161033 15312098939 · [email protected]

Related reactions

71 records
New reaction record

Compound notes

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