Introduction：Basic information about CAS 591-17-3|3-Bromotoluene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Bromotoluene |
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| CAS Number | 591-17-3 | Molecular Weight | 171.035 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 182.1±9.0 °C at 760 mmHg |
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| Molecular Formula | C7H7Br | Melting Point | -40 °C |
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| MSDS | ChineseUSA | Flash Point | 60.0±0.0 °C |
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| Symbol |
GHS02, GHS07 | Signal Word | Warning |
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Names
| Name | 3-Bromotoluene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 182.1±9.0 °C at 760 mmHg |
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| Melting Point | -40 °C |
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| Molecular Formula | C7H7Br |
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| Molecular Weight | 171.035 |
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| Flash Point | 60.0±0.0 °C |
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| Exact Mass | 169.973099 |
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| LogP | 3.45 |
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| Vapour Pressure | 1.1±0.3 mmHg at 25°C |
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| Index of Refraction | 1.549 |
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| InChIKey | WJIFKOVZNJTSGO-UHFFFAOYSA-N |
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| SMILES | Cc1cccc(Br)c1 |
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| Water Solubility | insoluble |
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Toxicological Information
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 DATAACUTE 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
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Safety Information
| Symbol |
GHS02, GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H226-H302-H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22;R36/37/38 |
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| Safety Phrases | S26-S36-S37/39 |
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| RIDADR | UN 1993 3/PG 3 |
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| WGK Germany | 3 |
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| RTECS | XS7965400 |
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| Packaging Group | I; II; III |
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| Hazard Class | 3.0 |
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| HS Code | 29036990 |
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Customs
| HS Code | 2903999090 |
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| 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% |
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Articles4
More Articles
| 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)
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| 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)
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| Heck reaction with an alkenylidenecyclopropane: the formation of arylallylidenecyclopropanes. Fall Y, et al. Tetrahedron Lett. 48(20) , 3579-81, (2007)
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Synonyms
| Benzene, 1-bromo-3-methyl- |
| EINECS 209-702-3 |
| 1-Bromo-3-methylbenzene |
| MFCD00000085 |
| 3-Bromotoluene |
