2-(Ethoxycarbonyl)cyclopropane-1-carboxylic acid

HCID 317445
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Basic information

CAS
167113-73-7
Standard SMILES
CCOC(=O)C1CC1C(=O)O
InChIKey
BRVQFDJETHFEQY-UHFFFAOYSA-N
Molecular formula
C7H10O4
Average molar mass
158.15 g/mol
Monoisotopic mass
158.0579088

Names & identifiers

Preferred name
2-(Ethoxycarbonyl)cyclopropane-1-carboxylic acid
IUPAC
2-ethoxycarbonylcyclopropane-1-carboxylic acid
English name
1,2-Cyclopropanedicarboxylicacid,monoethylester(9CI)
Molecular formula
C7H10O4
Molecular weight
158.15

Names & synonyms

2-(Ethoxycarbonyl)cyclopropane-1-carboxylic acidRefChem:460885690-825-8167113-73-72-(ethoxycarbonyl)cyclopropanecarboxylic acid2-ethoxycarbonylcyclopropane-1-carboxylic acid1,2-Cyclopropanedicarboxylicacid,monoethylester(9CI)MFCD06203270cis-2-(Ethoxycarbonyl)cyclopropanecarboxylic acid1,2-Cyclopropanedicarboxylic acid 1-ethyl esterNSC249244SCHEMBL1223254
Show more names
Ethyl 2-carboxycyclopropane-1-carboxylate2-ethoxycarbonyl-1-cyclopropanecarboxylic acid
DTXSID30953454BRVQFDJETHFEQY-UHFFFAOYSA-N1-Ethyl 1,2-cyclopropanedicarboxylateAKOS015909396NSC-249244SB443812-ethoxycarbonylcyclopropanecarboxylic acidSY324905

Database identifiers

CAS
167113-73-7、31420-66-3
PubChem CID
317445
DTXSID
DTXSID30953454
EC Number
690-825-8
Nikkaji
J191.570C

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
11

Physicochemical properties

Boiling point
106.5 · 106.5-107.5 °C(Press: 11 Torr)
Density
1.322 · 1.322±0.06 g/cm3(Predicted)
pka
4.14 · 4.14±0.11(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

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

hs_code
2916200090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-(Ethoxycarbonyl)cyclopropane-1-carboxylic Acid, is a building block used in various chemical synthesis.

Suppliers8 total

上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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