3-Chlorophenylacetic acid

HCID 15879
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1878-65-5
Standard SMILES
O=C(O)Cc1cccc(Cl)c1
InChIKey
WFPMUFXQDKMVCO-UHFFFAOYSA-N
Molecular formula
C8H7ClO2
Average molar mass
170.59 g/mol
Monoisotopic mass
170.01345714

Names & identifiers

Preferred name
3-Chlorophenylacetic acid
IUPAC
2-(3-chlorophenyl)acetic acid
English name
3-Chlorophenylacetic acid
Molecular formula
C8H7ClO2
Molecular weight
170.59

Names & synonyms

3-CHLOROPHENYLACETIC ACID1878-65-52-(3-chlorophenyl)acetic acidm-Chlorophenylacetic acidBenzeneacetic acid, 3-chloro-(3-chlorophenyl)acetic acid3-Chlorobenzeneacetic acidAcetic acid, (m-chlorophenyl)-(m-Chlorophenyl)acetic acidF3JK7EW3SXEINECS 217-520-0DTXSID5075151
Show more names
AMG-232-0013-chloroacetate3-- acetic acidRARECHEM AL BO 01223-chlorophenylaceticm-Chlorophenylacetic3-ChlorphenylessigsαureBetween the acid chloride
NSC 87556NSC-87556BENZENEACETIC ACID, M-CHLORO-RefChem:500510CHEMBL-335792DTXCID3035925Benzeneacetic acid, 3-chloro-(9CI)Acetic acid, (m-chlorophenyl)-(8CI)

Database identifiers

CAS
1878-65-5
PubChem CID
15879
DTXSID
DTXSID5075151
ChEMBL
CHEMBL335792
UNII
F3JK7EW3SX
EC Number
217-520-0
Nikkaji
J147C

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift
LogP2.09

Physicochemical properties

Melting point
76 · 76-79 °C (lit.)
Boiling point
241.44 °C · 241.44°C (rough estimate)
Density
1.2315 · 1.2315 (rough estimate)
refractive index
1.566 · 1.5660 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
0.1 g/mL, · methanol: 0.1 g/mL, clear, colorless

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzeneacetic acid, 3-chloro-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29163900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

UsesOrtho-, meta-, and para-chlorophenylacetic acids are all potent plant growth regulators and herbicides. 3-Chlorophenylacetic acid is the meta-isomer among them. Chlorophenylacetic acids are used in the synthesis of oxindoles and organoantimony complexes; the resulting compounds exhibit biocidal, fungicidal, and antioxidant properties[1].

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

244 records
New reaction record

Compound notes

Loading…