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HCID 82010Erstellt: 27. Oktober 2026

3-Chloro-2-methylbenzoic acid

RARECHEM AL BO 0470 · 4-hexadecoxyaniline · 3-Chloro-2-methylben · 3-chloro-o-toluicaci · 3-CHLORO-O-TOLUIC ACID · 3-CHLORO-2-TOLUIC ACID · 3-chloro-2-methyl-benzoicaci · 3-CHLORO-2-METHYLBENZOIC ACID

https://huagongshe.com/de/chemical/82010

Molekülstruktur von 3-Chloro-2-methylbenzoic acid

Identifikatoren & physikalische Daten

CAS No.	7499-08-3
Summenformel	C8H7ClO2
Durchschnittliche Molmasse	170,59 g/mol
Monoisotopische Masse	170,01345714 g/mol
SMILES	Cc1c(Cl)cccc1C(=O)O
InChIKey	HXGHMCLCSPQMOR-UHFFFAOYSA-N
PubChem CID	82010
EC No.	626-731-0
DTXSID	DTXSID30225946

Chemische & physikalische Eigenschaften

XLogP	2,4
Polarare Oberfläche (TPSA)	37,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	158
Schmelzpunkt	163-166 °C (lit.)
Siedepunkt	290.9±20.0 °C(Predicted)
Dichte	1.310±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	3.58±0.10(Predicted)
Farbe	White to Light yellow to Light orange
BRN	1072826
InChI	InChI=1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey	HXGHMCLCSPQMOR-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC=CC(Cl)=C1C
CAS Datenbank	7499-08-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29163990
RTECS-Nr.	XU1645000
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Gefahrenklasse	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Lagerklasse	11 - Combustible Solids

CAS No.

7499-08-3

Summenformel

C8H7ClO2

Durchschnittliche Molmasse

170,59 g/mol

Monoisotopische Masse

170,01345714 g/mol

SMILES

Cc1c(Cl)cccc1C(=O)O

InChIKey

HXGHMCLCSPQMOR-UHFFFAOYSA-N

PubChem CID

82010

EC No.

626-731-0

DTXSID

DTXSID30225946

Chemische & physikalische Eigenschaften

XLogP

2,4

Polarare Oberfläche (TPSA)

37,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

158

Schmelzpunkt

163-166 °C (lit.)

Siedepunkt

290.9±20.0 °C(Predicted)

Dichte

1.310±0.06 g/cm3(Predicted)

Lagerbedingungen

Sealed in dry,Room Temperature

Löslichkeit

soluble in Methanol

Aggregatzustand

powder to crystal

pKa (Säurekonstante)

3.58±0.10(Predicted)

Farbe

White to Light yellow to Light orange

BRN

1072826

InChI

InChI=1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)

InChIKey

HXGHMCLCSPQMOR-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC=CC(Cl)=C1C

CAS Datenbank

7499-08-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (100%)

Wassergefährdungsklasse (WGK)

Zollcode

29163990

RTECS-Nr.

XU1645000

R-Sätze (R)

36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

26-36

Gefahrenklasse

IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3

Lagerklasse

11 - Combustible Solids