Benzoic acid, 4-(allyloxy)-3,5-dichloro-

HCID 38951CAS 41727-45-1
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCOc1c(Cl)cc(C(=O)O)cc1Cl
InChIKey
RXLVKVUKUULKAK-UHFFFAOYSA-N
Molecular formula
C10H8Cl2O3
Average molar mass
247.07 g/mol
Monoisotopic mass
245.98504948

Names & identifiers

Preferred name
Benzoic acid, 4-(allyloxy)-3,5-dichloro-
IUPAC
3,5-dichloro-4-prop-2-enoxybenzoic acid
English name
4-(Allyloxy)-3,5-dichlorobenzoic acid
Molecular formula
C10H8Cl2O3
Molecular weight
247.07

Names & synonyms

41727-45-1BRN 25839844-Allyloxy-3,5-dichlorobenzoic acidBENZOIC ACID, 4-(ALLYLOXY)-3,5-DICHLORO-DTXSID30194522RefChem:327461DTXCID701170134-(ALLYLOXY)-3,5-DICHLOROBENZOIC ACID3,5-dichloro-4-prop-2-enoxybenzoic acid4-allyloxy-3,5-dichloro-benzoic acidMFCD016601413,5-DICHLORO-4-(PROP-2-EN-1-YLOXY)BENZOIC ACID
Show more names
Benzoic acid, 3,5-dichloro-4-(2-propen-1-yloxy)-4-(allyloxy)-3,5-dichlorobenzoic acid(SALTDATA: FREE)
SCHEMBL3472930RXLVKVUKUULKAK-UHFFFAOYSA-NAKOS006221885BS-37817DB-316186CS-04522914-(ALLYLOXY)-3,5-DICHLOROBENZOICACIDF315764

Database identifiers

CAS
41727-45-1
PubChem CID
38951
DTXSID
DTXSID30194522
EC Number
112-014-5
Nikkaji
J73.804B

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

Boiling point
363 · 363.0±37.0 °C(Predicted)
Density
1.388 · 1.388±0.06 g/cm3(Predicted)
pka
3.71 · 3.71±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, 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%)

Chemistry & industry

Suppliers4 total

成都诺维尔生物医药有限公司028-85255396 18302801538 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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