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Basic information
- CAS
854015-42-2- Standard SMILES
CCOC(=O)c1noc(Br)c1C- InChIKey
JDEKAKGYNNXSLB-UHFFFAOYSA-N- Molecular formula
- C7H8BrNO3
- Average molar mass
- 234.05 g/mol
- Monoisotopic mass
- 232.96876
Names & identifiers
- Preferred name
- Ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate
- IUPAC
- ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylate
- English name
- ethyl 5-bromo-4-methylisoxazole-3-carboxylate
- Molecular formula
- C7H8BrNO3
- Molecular weight
- 234.05
Names & synonyms
854015-42-2ethyl 5-bromo-4-methyl-1,2-oxazole-3-carboxylateRefChem:595720881-857-5MFCD286611575-Bromo-4-methylisoxazole-3-carboxylic acid ethyl ester5-Bromo-4-methyl-3-isoxazolecarboxylic acid ethyl esterSCHEMBL766573JDEKAKGYNNXSLB-UHFFFAOYSA-N3-Isoxazolecarboxylic acid, 5-bromo-4-methyl-, ethyl esterN-(methylene)morpholinium chlorideEOS-61338
Show more names
ethyl 5-bromo-4-methylisoxazole-3-carboxylate5-bromo-4-methylisoazole-3-carboxylic acidethyl esterethyl 5-bromo-4-methylisoxazole-3-carboxylate（WS203015）
AS-94792SY333132DB-168751ethyl5-bromo-4-methylisoxazole-3-carboxylateEN300-117339W17376ethyl 5-bromanyl-4-methyl-1,2-oxazole-3-carboxylate5-bromo-4-methyl-isoxazole-3-carboxylic acid ethyl ester
Database identifiers
- CAS
854015-42-2- PubChem CID
- 58828802
- EC Number
- 881-857-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 286.4 · 286.4±35.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- -7.03 · -7.03±0.50(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers24 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州格镭生物科技有限公司19903857099; 19937938981 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海君悦生物科技有限公司021-51370612 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
南京益冉生物医药科技有限公司13770809694 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
德州博腾精细化工有限公司[email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
广东胜克生化科技股份有限公司18925113981 18925113981 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
13 records
Compound notes
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