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1-Bromo-2,3-dimethylbenzene

1-Bromo-2,3-dimethylbenzene structure

CAS No:
576-23-8
Formula:
C8H9Br
Chemical Name:
1-Bromo-2,3-dimethylbenzene
Synonyms:
Benzene,1-bromo-2,3-dimethyl-;o-Xylene,3-bromo-;1-Bromo-2,3-dimethylbenzene;2,3-Dimethylbromobenzene;3-Bromo-o-xylene;3-Bromo-1,2-xylene;3-Bromo-1,2-dimethylbenzene;NSC 76561
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

1-Bromo-2,3-dimethylbenzene, commonly referred to as ortho-bromotoluene, is an aromatic compound that features a single bromine atom as a substituent attached to the benzene ring, along with two methyl groups positioned at the second and third carbon atoms on the ring. This particular compound is generally observed as a colorless or sometimes a pale yellow liquid, indicating its physical state under normal conditions.

1-Bromo-2,3-dimethylbenzene Basic Attributes

Molecular Weight：

185.06

Exact Mass：

185.06

BRN：

2077312

EC Number：

209-398-2

NSC Number：

76561

DSSTox ID：

DTXSID90206231

HScode：

29039990

Characteristics

PSA：

XLogP3：

3.91

Appearance：

Clear colorless Liquid

Density：

1.366 g/cm³ @ Temp: 15 °C

Melting Point：

21ºC

Boiling Point：

214 °C

Flash Point：

177 °F

Refractive Index：

1.544

Water Solubility：

Not miscible or difficult to mix in water.

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

Transport codes：

UN28106.1/PG3

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39-24/25

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (98.11%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 53 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Bromo-2,3-dimethylbenzene Use and Manufacturing

1-Bromo-2,3-Dimethylbenzene plays a crucial role in the field of organic chemistry as it is widely utilized as an essential intermediate in the synthesis of numerous compounds. Specifically, it finds extensive application in the production of pharmaceuticals, where it acts as a precursor for the creation of various medicinal compounds. Its utility extends to the realm of agrochemicals as well, where it contributes to the development of substances that are vital for agricultural purposes, such as pesticides and herbicides. Beyond these sectors, 1-Bromo-2,3-Dimethylbenzene is also employed in the synthesis of a broad array of other organic compounds, underscoring its versatility in chemical manufacturing. In the context of chemical reactions, this compound serves as a key building block, particularly in nucleophilic substitution reactions. These reactions involve the displacement of a bromine atom by a nucleophile, a process that is fundamental to many synthetic pathways in organic chemistry. The presence of the bromine atom in the 1-position and the methyl groups in the 2,3-positions provides specific reactivity and selectivity, making 1-Bromo-2,3-Dimethylbenzene a valuable starting material for complex molecule construction in both laboratory and industrial settings.

Computed Properties

Molecular Weight:185.06
XLogP3:3.7
Exact Mass:183.98876
Monoisotopic Mass:183.98876
Heavy Atom Count:9
Complexity:90.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 576-23-8

Grade: Industrial Grade

Content: 99%

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CAS No.: 576-23-8

Grade: Pharmaceutical Grade

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Guide of 1-Bromo-2,3-dimethylbenzene

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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