CAS 938-95-4 DL-2-(4-chlorophenyl)propanoic acid (HCID 102525)

Names & identifiers

Preferred name: DL-2-(4-chlorophenyl)propanoic acid
IUPAC: 2-(4-chlorophenyl)propanoic acid
English name: (4-Chloromethylphenyl)acetic acid
Molecular formula: C9H9ClO2
Molecular weight: 184.62

Names & synonyms

938-95-4DL-2-(4-Chlorophenyl)propanoic acidEINECS 213-351-1RefChem:589897213-351-12-(4-Chlorophenyl)propanoic acid4-Chloro-alpha-methylphenylacetic acidMFCD000446702-(4-Chlorophenyl)propionic Acid4-Chloro-a-methyl-benzeneacetic acidYOZILQVNIWNPFP-UHFFFAOYSA-AKOS005207114

Show more names

4-(Chlormethyl)phenylacetic2-(4-chlorophenyl)propanoicaci2-(4-chlorophenyl)propaNAic acid4-(Chlormethyl)Phenylacetic AcidA-(P-CHLOROPHENYL)PROPIONIC ACID2-(p-chlorophenyl)propionic acidp-Chloro-methylphenyl acetic acid(4-Chloromethylphenyl)acetic acidP-CHLORO-A-METHYLPHENYLACETIC ACID

.alpha.-(p-Chlorophenyl)propionic acidTS-02573dl-p-Chloro-.alpha.-methylphenylacetic acidBenzeneacetic acid, 4-chloro-.alpha.-methyl-DL-4-Chloro-alpha-methylphenylacetic acid, 96%2-(4-Chlorophenyl)propanoic Acid (>90%)4-Chloro-alpha-methylbenzeneacetic acida-(p-chlorophenyl)pro

Database identifiers

CAS: 938-95-4
PubChem CID: 102525
DTXSID: DTXSID10912625
UNII: Q86TV64BDQ
EC Number: 213-351-1
Nikkaji: J298.535G

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 162

Physicochemical properties

Melting point: 57 · 57-61 °C
Boiling point: 121 · 121-126°C 0,2mm
Density: 1.263 · 1.263±0.06 g/cm3(Predicted)
Flash point: 121 · 121-126°C/0.2mm
storage temp.: Refrigerator
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 4.21 · 4.21±0.10(Predicted)
color: White to Off-White
Water Solubility: Soluble in water.
BRN: 2328710 · 2328710
InChI: 1S/C9H9ClO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)
InChIKey: YOZILQVNIWNPFP-UHFFFAOYSA-N
SMILES: CC(C(O)=O)c1ccc(Cl)cc1
CAS DataBase Reference: 938 · 938-95-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H317-H319
Precautionary statements: 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36-43
Safety Statements: 26 · 26-36/37
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
HS Code: 2916399090 · 2916399090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (88.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (88.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2916399090
risk_code: 22-36-43
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn
safety_code: 26-36/37
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H301-H317-H319
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1
Precautionary statements: P280-P301+P310+P330-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Chloro-alpha-methylphenylacetic acid is used to produce a-(4-Chlor-3-nitrophenyl)propionsaure. It is used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.