CAS 7499-06-1 5-Chloro-2-methylbenzoic acid (HCID 82009)

Overview

5-chloro-2-methylbenzoic acid is a member of the class of chlorobenzoic acids that is benzoic acid in which the ring hydrogens at positions 2 and 5 are replaced by methyl and chloro groups, respectively. It is a chlorobenzoic acid, a member of toluenes and a member of monochlorobenzenes.

Names & identifiers

Preferred name: 5-Chloro-2-methylbenzoic acid
IUPAC: 5-chloro-2-methylbenzoic acid
English name: 5-Chloro-2-methylbenzoic acid
Molecular formula: C8H7ClO2
Molecular weight: 170.59

Names & synonyms

5-Chloro-2-methylbenzoic acid2-methyl-5-chlorobenzoic acidBenzoic acid, 5-chloro-2-methyl-5-Chloro-2-Methyl-Benzoic Acido-Toluic acid, 5-chloro-CHEBI:166854DTXSID70225945NSC 407520RefChem:102321DTXCID00148436627-760-17499-06-1

Show more names

RARECHEM AL BO 04715-Chloro-2-methylbenzoic5-Chloro-2-methylbenzoic Acid >4-(CHLOROMETHYL)BENZOIC ACID 99+%5-Chloro-o-toluic acid, 2-Carboxy-4-chlorotoluene

5-Chloro-o-toluic acidMFCD000458425-chloro-2-methyl benzoic acid3-CHLORO-6-METHYLBENZOIC ACIDAKOS005256571NSC-407520C2509Z1203161815

Database identifiers

CAS: 7499-06-1
PubChem CID: 82009
DTXSID: DTXSID70225945
ChEBI: CHEBI:166854
UNII: 78HDL38URQ
EC Number: 627-760-1
Nikkaji: J1.240.922B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 168 · 168-173 °C
Boiling point: 293.5 · 293.5±20.0 °C(Predicted)
Density: 1.31 · 1.310±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 3.5 · 3.50±0.25(Predicted)
color: White to Light yellow to Light orange
InChI: InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey: CSAPESWNZDOAFU-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(Cl)=CC=C1C
CAS DataBase Reference: 7499 · 7499-06-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-41-37/38-22
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 29163990 · 29163990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Cease Manufacture Update: 07-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17881

Hazard Classes and CategoriesAcute Tox. 4 (93%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29163990
risk_code: 36/37/38-41-37/38-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H318-H335
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 5-chloro-2-methyl-: ACTIVE

Upstream & downstream products

Upstream raw materials

Downstream products

3-Chloro-2-methylbenzoic acid 5-Chloro-2-methylbenzoic acid ethyl ester 5-chloro-2-methylbenzoyl chloride 1(3H)-Isobenzofuranone, 4-amino-6-chloro-

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes · 1 item

DefinitionChEBI: 5-chloro-2-methylbenzoic acid is a member of the class of chlorobenzoic acids that is benzoic acid in which the ring hydrogens at positions 2 and 5 are replaced by methyl and chloro groups, respectively. It is a chlorobenzoic acid, a member of monochlorobenzenes and a member of toluenes.