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Ethyl 1-bromocyclohexane-1-carboxylate

HCID 322671
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
41949-98-8
Standard SMILES
CCOC(=O)C1(Br)CCCCC1
InChIKey
DAJRAUFUJGNWDE-UHFFFAOYSA-N
Molecular formula
C9H15BrO2
Average molar mass
235.12 g/mol
Monoisotopic mass
234.02554

Names & identifiers

Preferred name
Ethyl 1-bromocyclohexane-1-carboxylate
IUPAC
ethyl 1-bromocyclohexane-1-carboxylate
English name
ethyl 1-bromocyclohexanecarboxylate
Molecular formula
C9H15BrO2
Molecular weight
235.12

Names & synonyms

ethyl 1-bromocyclohexane-1-carboxylateRefChem:593309839-647-641949-98-8ethyl 1-bromocyclohexanecarboxylateethyl1-bromocyclohexane-1-carboxylateethyl1-bromocyclohexanecarboxylateNSC280764DTXSID70314126RBA94998AKOS024340635NSC-280764
Show more names
ETHYL 1-BROMO-1-CYCLOHEXANECARBOXYLATECyclohexanecarboxylic acid, 1-bromo-, ethyl esterETHYL 1-BROMO-1-CYCLOHEXANECARBOXYLATEQ: What is ETHYL 1-BROMO-1-CYCLOHEXANECARBOXYLATE Q: What is the CAS Number of ETHYL 1-BROMO-1-CYCLOHEXANECARBOXYLATE
DA-05983CS-0259886EN300-7432152

Database identifiers

CAS
41949-98-8
PubChem CID
322671
DTXSID
DTXSID70314126
EC Number
839-647-6

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
162

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H335-H319
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H335-H319
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1-bromocyclohexanecarboxylic acid chlorideEthanolCyclohexanecarboxylic acid chloride

Downstream products

1-(1-Cyclohexen-1-yl)-cyclohexanecarboxylic Acid

Suppliers2 total

天津合信成化工科技有限公司13752273685 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes