2-Chlorotoluene

Modify Date: 2026-07-01 22:57:51

2-Chlorotoluene structure	Common Name	2-Chlorotoluene
	CAS Number	95-49-8	Molecular Weight	126.584
	Density	1.082	Boiling Point	157-159 ºC
	Molecular Formula	C₇H₇Cl	Melting Point	-36 ºC
	MSDS	Chinese USA	Flash Point	47 ºC
	Symbol	GHS02, GHS06, GHS08	Signal Word	Danger

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	2-Chlorotoluene
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.082
Boiling Point	157-159 ºC
Melting Point	-36 ºC
Molecular Formula	C₇H₇Cl
Molecular Weight	126.584
Flash Point	47 ºC
Exact Mass	126.023628
LogP	3.27
Vapour density	4.38 (vs air)
Vapour Pressure	3.8±0.3 mmHg at 25°C
Index of Refraction	1.524-1.526
InChIKey	IBSQPLPBRSHTTG-UHFFFAOYSA-N
SMILES	Cc1ccccc1Cl
Water Solubility	slightly soluble

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

2-Chlorotoluene MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XS9000000

CHEMICAL NAME :: Toluene, o-chloro-

CAS REGISTRY NUMBER :: 95-49-8

BEILSTEIN REFERENCE NO. :: 1904175

LAST UPDATED :: 199712

DATA ITEMS CITED :: 28

MOLECULAR FORMULA :: C7-H7-Cl

MOLECULAR WEIGHT :: 126.59

WISWESSER LINE NOTATION :: GR B1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3900 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - tremor Behavioral - excitement

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(10),56,1981

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4400 ppm

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :: 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,308,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(12),64,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2500 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - tremor Behavioral - excitement

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(10),56,1981

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4400 ppm

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :: 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,308,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(12),64,1980

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 4400 ppm

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :: 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,308,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 3 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 46(2),67,1981 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 35910 mg/kg/9W-I

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 46(2),67,1981 *** REVIEWS *** ACGIH TLV-TWA 259 mg/m3 (50 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 50 ppm (250 mg/m3);STEL 75 ppm (375 mg/m3) JAN 1993 OEL-BELGIUM:TWA 50 ppm (259 mg/m3);STEL 75 ppm (388 mg/m3) JAN 1993 OEL-DENMARK:TWA 50 ppm (250 mg/m3);Skin JAN 1993 OEL-FINLAND:TWA 50 ppm (260 mg/m3);STEL 75 ppm (390 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 50 ppm (250 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 50 ppm (250 mg/m3);Skin JAN 1993 OEL-RUSSIA:STEL 10 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 50 ppm (250 mg/m3);Skin JAN 1993 OEL-UNITED KINGDOM:TWA 50 ppm (250 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO o-CHLOROTOLUENE-air:10H TWA 50 ppm;STEL 75 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1254 No. of Facilities: 62 (estimated) No. of Industries: 2 No. of Occupations: 8 No. of Employees: 11617 (estimated) No. of Female Employees: 963 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS02, GHS06, GHS08
Signal Word	Danger
Hazard Statements	H225-H301 + H311 + H331-H360-H370
Precautionary Statements	P201-P210-P260-P280-P301 + P310 + P330-P308 + P311-P403 + P233
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US)
Hazard Codes	Xn:Harmful
Risk Phrases	R20;R51/53
Safety Phrases	S24/25-S61-S45-S36/37-S16-S7
RIDADR	UN 2238 3/PG 3
WGK Germany	2
RTECS	XS9000000
Packaging Group	III
Hazard Class	3
HS Code	29036990

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:108-88-3 Toluene CAS#:95-53-4 o-Toluidine CAS#:16419-60-6 tolylboronic acid CAS#:98-34-0 2-chlorotoluene...
CAS#:201230-82-2 carbon monoxide CAS#:611-19-8 o-Chlorobenzylc... CAS#:19819-95-5 2-(2-Chlorophen... CAS#:97-65-4 Itaconic acid
CAS#:2028-34-4 o-methylbenzene... CAS#:13716-12-6 Tri-tert-butylp...
DownStream 10
CAS#:51123-59-2 3-Chloro-2-meth... CAS#:95-52-3 2-Fluorotoluene CAS#:352-70-5 3-Fluorotoluene CAS#:352-32-9 4-Fluorotoluene
CAS#:83-42-1 2-Chloro-6-nitr... CAS#:121-86-8 CNT CAS#:13290-74-9 2-Chloro-5-nitr... CAS#:3970-40-9 2-CHLORO-3-NITR...
CAS#:37074-39-8 1-(4-Chloro-3-m... CAS#:39512-51-1 1-(2-Methylphen...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2903999090
Summary	2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

This table lists relevant public references with title, journal and publication metadata for this compound.

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

Vibrational spectroscopic analysis of 2-chlorotoluene and 2-bromotoluene: A combined experimental and theoretical study

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 77(5) , 1005-13, (2010)

In this work, the vibrational spectral analysis was carried out using Raman and infrared spectroscopy in the range 100–4000 cm −1 and 50–4000 cm −1, respectively, for the title molecules. The molecula...

Molecular structure and vibrational spectra of o-chlorotoluene, m-chlorotoluene, and p-chlorotoluene by ab initio HF and DFT calculations.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 78(3) , 1126-32, (2011)

In this work, experimental and theoretical study on the molecular structure and the vibrational spectra of o-chlorotoluene (OCT), m-chlorotoluene (MCT) and p-chlorotoluene (PCT) are presented. The vib...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841

Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788

Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813

Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG

Total 187, Current Page 1 of 19

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

O-Methyl-capsaicin

ortho-chlorotoluene

Methylcapsaicin

markiertes Capsaicin

EINECS 202-424-3

o-Tolyl chloride

mono-chlorotoluene

2-Chlorotoluene

o-methylchlorobenzne

2-tolyl chloride

6-Nonenamide,N-((3,4-dimethoxyphenyl)methyl)-8-methyl-,(E)

1-Chloro-2-methylbenzene

o-chlorotoluene

MFCD00000562

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the melting point of 2-Chlorotoluene?

A: Melting point of 2-Chlorotoluene is -36 ºC.

Q: What are the upstream materials of 2-Chlorotoluene?

A: Related upstream materials(CAS) of 2-Chlorotoluene: 108-88-3;95-53-4;16419-60-6;98-34-0;201230-82-2;611-19-8;19819-95-5;97-65-4;2028-34-4;13716-12-6.

Q: What is the safety information for 2-Chlorotoluene?

A: Safety information for 2-Chlorotoluene: S24/25-S61-S45-S36/37-S16-S7.

Q: What is the LogP of 2-Chlorotoluene?

A: LogP of 2-Chlorotoluene is 3.27.

Q: What is the CAS number of 2-Chlorotoluene?

A: CAS number of 2-Chlorotoluene is 95-49-8.

Q: What English synonyms does 2-Chlorotoluene have?

A: English synonyms of 2-Chlorotoluene: O-Methyl-capsaicin, ortho-chlorotoluene, Methylcapsaicin, markiertes Capsaicin, EINECS 202-424-3, o-Tolyl chloride, mono-chlorotoluene, 2-Chlorotoluene, o-methylchlorobenzne, 2-tolyl chloride, 6-Nonenamide,N-((3,4-dimethoxyphenyl)methyl)-8-methyl-,(E), 1-Chloro-2-methylbenzene, o-chlorotoluene, MFCD00000562.

Q: How is the water solubility of 2-Chlorotoluene?

A: Water solubility of 2-Chlorotoluene: slightly soluble.

Q: What are the downstream products of 2-Chlorotoluene?

A: Related downstream products(CAS) of 2-Chlorotoluene: 51123-59-2;95-52-3;352-70-5;352-32-9;83-42-1;121-86-8;13290-74-9;3970-40-9;37074-39-8;39512-51-1.

Q: What is the SMILES notation of 2-Chlorotoluene?

A: SMILES notation of 2-Chlorotoluene is Cc1ccccc1Cl.

Q: What is the molecular weight of 2-Chlorotoluene?

A: Molecular weight of 2-Chlorotoluene is 126.584.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Henan Tianfu Chemical Co., Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 2-Chlorotoluene
Price: Check
Purity: 99.8%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2-Chlorotoluene
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: 95-49-8 2-Chlorotoluene,95-49-8
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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2-Chlorotoluene

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