3-Cyclopropylbenzoic acid

HCID 282065
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Basic information

CAS
1129-06-2
Standard SMILES
O=C(O)c1cccc(C2CC2)c1
InChIKey
RQRAQQYDNSRVRK-UHFFFAOYSA-N
Molecular formula
C10H10O2
Average molar mass
162.18 g/mol
Monoisotopic mass
162.06807956

Names & identifiers

Preferred name
3-Cyclopropylbenzoic acid
IUPAC
3-cyclopropylbenzoic acid
English name
3-Cyclopropylbenzoic acid
Molecular formula
C10H10O2
Molecular weight
162.19

Names & synonyms

3-Cyclopropylbenzoic acidDTXSID80300156RefChem:501006DTXCID40251291851-915-41129-06-23-Cyclopropyl benzoic acidMFCD00626842Benzoic acid, 3-cyclopropyl-3-CyclopropylbenzoicAcid3-cyclopropyl-benzoic acidNSC135140
Show more names
m-cyclopropylbenzoic acid3-(Cyclopropyl)benzoic acidA1J8RSCHEMBL1543703SCHEMBL17046381SCHEMBL30281246RQRAQQYDNSRVRK-UHFFFAOYSA-NSBB052601

Database identifiers

CAS
1129-06-2
PubChem CID
282065
DTXSID
DTXSID80300156
EC Number
851-915-4

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
119 · 119-120 °C
Boiling point
312.2 · 312.2±21.0 °C(Predicted)
Density
1.248 · 1.248±0.06 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
pka
4.27 · 4.27±0.10(Predicted)
Appearance
White to off-white Solid

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)

Aggregated GHS information provided per 3 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2916399090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers40 total

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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