1-Phenylcyclopropanecarboxylic acid

HCID 80206
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Basic information

CAS
6120-95-2
Standard SMILES
O=C(O)C1(c2ccccc2)CC1
InChIKey
IWWCCNVRNHTGLV-UHFFFAOYSA-N
Molecular formula
C10H10O2
Average molar mass
162.18 g/mol
Monoisotopic mass
162.06807956

Names & identifiers

Preferred name
1-Phenylcyclopropanecarboxylic acid
IUPAC
1-phenylcyclopropane-1-carboxylic acid
English name
1-Phenyl-1-cyclopropanecarboxylic acid
Molecular formula
C10H10O2
Molecular weight
162.19

Names & synonyms

6120-95-21-Phenylcyclopropanecarboxylic acidCyclopropanecarboxylic acid, 1-phenyl-EINECS 228-090-9DTXSID10210118NSC 154619RefChem:435698DTXCID10132609228-090-91-Phenyl-1-cyclopropanecarboxylic acid1-phenylcyclopropane-1-carboxylic acidMFCD00001288
Show more names
AKOS BB-9362RARECHEM AL BO 1075LABOTEST-BB LT004517981-phenyl-1-cyclopropanecarboxylate1-phenyl-1-cycloprocarboxylic acid1-Phenylcyclopropan-carboxylic acid1-Phenyl-1-cyclopropanecarboxylicaci1-Phenyl-1-cycloprppanecarboxylicacid
1-Phenyl-cyclopropanecarboxylic acidSCHEMBL63911-Phenylcyclopropanecarboxylic acid #NSC154619STK1262831-phenyl-1cyclopropane carboxylic acidNSC-1546191-phenyl-1-cyclopropane carboxylic acid

Database identifiers

CAS
6120-95-2
PubChem CID
80206
DTXSID
DTXSID10210118
UNII
FQ5VCA2EW3
EC Number
228-090-9
Nikkaji
J81.149A

Properties

Computed structural properties

XLogP
1.7
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
85 · 85-87 °C (lit.)
Boiling point
248.88 °C · 248.88°C (rough estimate)
Density
1.0613 · 1.0613 (rough estimate)
refractive index
1.5782 · 1.5782 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble in Methanol

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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationCyclopropanecarboxylic acid, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29163990
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications · 1 item

Uses1-Phenyl-1-cyclopropanecarboxylic Acid, is an intermediate in the synthesis of pharmaceutical products including inhibitors and anticancer compounds. It is also used as the starting material in the synthesis of 2-(1-Phenylcyclopropyl)-4-oxazolecarboxylic Acid (P319785).

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

327 records
New reaction record

Compound notes

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