3-Bromotoluene

Modify Date: 2026-07-09 12:41:18

3-Bromotoluene structure	Common Name	3-Bromotoluene
	CAS Number	591-17-3	Molecular Weight	171.035
	Density	1.4±0.1 g/cm3	Boiling Point	182.1±9.0 °C at 760 mmHg
	Molecular Formula	C₇H₇Br	Melting Point	-40 °C
	MSDS	Chinese USA	Flash Point	60.0±0.0 °C
	Symbol	GHS02, GHS07	Signal Word	Warning

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

Name	3-Bromotoluene
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	1.4±0.1 g/cm3
Boiling Point	182.1±9.0 °C at 760 mmHg
Melting Point	-40 °C
Molecular Formula	C₇H₇Br
Molecular Weight	171.035
Flash Point	60.0±0.0 °C
Exact Mass	169.973099
LogP	3.45
Vapour Pressure	1.1±0.3 mmHg at 25°C
Index of Refraction	1.549
InChIKey	WJIFKOVZNJTSGO-UHFFFAOYSA-N
SMILES	Cc1cccc(Br)c1
Water Solubility	insoluble

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

3-Bromotoluene MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XS7965400

CHEMICAL NAME :: Toluene, m-bromo-

CAS REGISTRY NUMBER :: 591-17-3

BEILSTEIN REFERENCE NO. :: 1903633

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H7-Br

MOLECULAR WEIGHT :: 171.05

WISWESSER LINE NOTATION :: ER C1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1436 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: 44(12),19,1979

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1215 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: 44(12),19,1979

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

Symbol	GHS02, GHS07
Signal Word	Warning
Hazard Statements	H226-H302-H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful;
Risk Phrases	R22;R36/37/38
Safety Phrases	S26-S36-S37/39
RIDADR	UN 1993 3/PG 3
WGK Germany	3
RTECS	XS7965400
Packaging Group	I; II; III
Hazard Class	3.0
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#:1422-76-0 m-methylbenzene... CAS#:583-68-6 2-Bromo-p-toluidine CAS#:823-78-9 3-Bromobenzyl b... CAS#:625-95-6 3-Iodotoluene
CAS#:108-44-1 3-Toluidine CAS#:108-88-3 Toluene CAS#:71-43-2 benzene CAS#:591-18-4 1-Bromo-3-iodob...
CAS#:74-88-4 methyl iodide CAS#:108-41-8 3-Chlorotoluene
DownStream 10
CAS#:10325-82-3 lithium,methylb... CAS#:537-64-4 bis(4-methylphe... CAS#:383363-34-6 ETHYL 4-BROMO-2... CAS#:3132-99-8 3-Bromobenzaldehyde
CAS#:615-59-8 3,5-Dibromotoluene CAS#:1611-92-3 3,5-Dibromotoluene CAS#:60956-23-2 1,2-Dibromo-4-m... CAS#:3586-14-9 1-Methyl-3-phen...
CAS#:36978-51-5 5-(3-METHYLPHEN... CAS#:57310-39-1 3-Bromo-4-chlor...

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.

Efficient cyanation of aryl bromides with K₄[Fe(CN)₆] catalyzed by a palladium-indolylphosphine complex. Yeung PY, et al.

Tetrahedron Lett. 52(52) , 7038-41, (2011)

High precision determination of bromine isotope ratio by GC-MC-ICPMS. Gelman F and Halicz L.

Int. J. Mass Spectrom. 289(2) , 167-169, (2010)

Heck reaction with an alkenylidenecyclopropane: the formation of arylallylidenecyclopropanes. Fall Y, et al.

Tetrahedron Lett. 48(20) , 3579-81, (2007)

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

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

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01

Name: Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay
Source: 824
External Id: ADRB2293

Total 209, Current Page 1 of 21

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

EINECS 209-702-3

1-Bromo-3-methylbenzene

MFCD00000085

3-Bromotoluene

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 3-Bromotoluene?

A: Melting point of 3-Bromotoluene is -40 °C.

Q: What is the boiling point of 3-Bromotoluene?

A: Boiling point of 3-Bromotoluene is 182.1±9.0 °C at 760 mmHg.

Q: What is the CAS number of 3-Bromotoluene?

A: CAS number of 3-Bromotoluene is 591-17-3.

Q: What are the downstream products of 3-Bromotoluene?

A: Related downstream products(CAS) of 3-Bromotoluene: 10325-82-3;537-64-4;383363-34-6;3132-99-8;615-59-8;1611-92-3;60956-23-2;3586-14-9;36978-51-5;57310-39-1.

Q: What is the InChIKey of 3-Bromotoluene?

A: InChIKey of 3-Bromotoluene is WJIFKOVZNJTSGO-UHFFFAOYSA-N.

Q: What is the SMILES notation of 3-Bromotoluene?

A: SMILES notation of 3-Bromotoluene is Cc1cccc(Br)c1.

Q: What are the upstream materials of 3-Bromotoluene?

A: Related upstream materials(CAS) of 3-Bromotoluene: 1422-76-0;583-68-6;823-78-9;625-95-6;108-44-1;108-88-3;71-43-2;591-18-4;74-88-4;108-41-8.

Q: What is the LogP of 3-Bromotoluene?

A: LogP of 3-Bromotoluene is 3.45.

Q: What is the molecular weight of 3-Bromotoluene?

A: Molecular weight of 3-Bromotoluene is 171.035.

Q: What English synonyms does 3-Bromotoluene have?

A: English synonyms of 3-Bromotoluene: EINECS 209-702-3, 1-Bromo-3-methylbenzene, MFCD00000085, 3-Bromotoluene.

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: 3-Bromotoluene
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3-Bromotoluene
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: 3-Bromotoluene 591-17-3
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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3-Bromotoluene

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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.