3-Methylenecyclobutanecarboxylic acid

HCID 27475
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Basic information

CAS
15760-36-8
Standard SMILES
C=C1CC(C(=O)O)C1
InChIKey
NNKLICLIBKMDOY-UHFFFAOYSA-N
Molecular formula
C6H8O2
Average molar mass
112.13 g/mol
Monoisotopic mass
112.0524295

Names & identifiers

Preferred name
3-Methylenecyclobutanecarboxylic acid
IUPAC
3-methylidenecyclobutane-1-carboxylic acid
English name
3-METHYLENECYCLOBUTANECARBOXYLIC ACID
Molecular formula
C6H8O2
Molecular weight
112.13

Names & synonyms

3-Methylenecyclobutanecarboxylic acidCYCLOBUTANECARBOXYLIC ACID, 3-METHYLENE-USAF A-16047BRN 2637143DTXSID401662954-09-00-00110 (Beilstein Handbook Reference)RefChem:281108DTXCID7088786692-323-415760-36-83-methylidenecyclobutane-1-carboxylic acidMFCD00101901
Show more names
RARECHEM AL BO 09193-Methylenecyclobutanecarboxylic3-methylene-cyclobutanecarboxylicaci3-Methylenecyclobutane-1-carboxylicacid97%3-Methylenecyclobutane-1-carboxylic acid 97%
3-Methylenecyclobutane-1-carboxylic acid3-methylidenecyclobutanecarboxylic acid3-Methylen-cyclobutancarbonsaeure3-Methylenecyclobutanecarboxylicacid3-methylene-cyclobutanecarboxylic acidSCHEMBL399574NNKLICLIBKMDOY-UHFFFAOYSA-NCS-M1233

Database identifiers

CAS
15760-36-8
PubChem CID
27475
DTXSID
DTXSID40166295
EC Number
692-323-4
Nikkaji
J48.585C

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
8

Physicochemical properties

Boiling point
102.5 · 102.5-103 °C(Press: 11 Torr)
Density
1.12 · 1.12±0.1 g/cm3(Predicted)
refractive index
1.46 · 1.46
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
4.52 · 4.52±0.20(Predicted)
form
liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code
2916399090
Toxicity
mouse,LD50,intraperitoneal,500mg/kg (500mg/kg),National Technical Information Service. Vol. AD430-559,
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
F,Xn

Chemistry & industry

Applications · 1 item

UsesBecause it contains a cyclobutane skeleton, 3-methylenecyclobutane carboxylic acid can be used as a synthetic intermediate for functional organic molecules containing a cyclobutane skeleton. By utilizing the chemical transformation properties of this substance, different functional groups can be introduced onto the cyclobutane skeleton, thereby achieving the regulation of the properties of the target organic molecule.

Upstream & downstream products

Suppliers100 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]

Related reactions

80 records
New reaction record

Compound notes

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