583-68-6 | 2-Bromo-4-methylaniline

Productschevron_right

Bromideschevron_right

583-68-6

2-Bromo-4-methylaniline

Synonyms

2-Bromo-4-methylaniline
583-68-6
2-Bromo-p-toluidine
Benzenamine, 2-bromo-4-methyl-
4-Amino-3-bromotoluene

Molecular Formula

C₇H₈BrN

Get a free no-obligation quote

We typically respond within 30 minutes during business hours!

Organization *

Country *

First name *

Last name *

Phone *

call

Email *

Product Info *

science

Identifying information of the product such as name, CAS number, structure or description

Additional details

description

Approx. quantity, purity, specifications, monthly order or one-off etc

Molecular Formula

C₇H₈BrN

Iupac Name

2-bromo-4-methylaniline

Dtp Nci Cas Number

583-68-6

Canonical Smiles

CC1=CC(=C(C=C1)N)Br

StdInChi

InChI=1S/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3

StdInChiKey

UVRRJILIXQAAFK-UHFFFAOYSA-N

Appearance

Brown liquid

Molecular Weight

186.05

Exact Mass

184.98401

Average Mass

186.049 Da

Monoisotopic Mass

184.98401

Boiling Point

240.0±0.0 °C at 760 mmHg

Experimental Boiling Point

240-242 °C

Experimental Melting Point

14-16 °C

Flash Point

101.9±21.8 °C

Density

1.5±0.1 g/cm³

Vapour Pressure

0.0±0.4 mmHg at 25°C

Enthalpy of Vaporization

47.7±3.0 kJ/mol

Refractive Index

1.609

Molar Refractivity

43.0±0.3 cm³

Polar Surface Area

26 Å²

Polarizability

17.0±0.5 10^-24cm³

Surface Tension

44.8±3.0 dyne/cm

Molar Volume

124.2±3.0 cm³

Experimental Logp

1.469

Acd LogP

2.65

Acd LogD Ph55

2.56

Acd Bcf Ph55

52.15

Acd Koc Ph55

589.45

Acd LogD Ph74

2.56

Acd Bcf Ph74

52.30

Acd Koc Ph74

591.16

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Heavy Atom Count

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently Bonded Unit Count

H Bond Acceptors

H Bond Donors

Freely Rotating Bonds

Rule of 5 Violations

Formal Charge

Complexity

94.9

Compound is Canonicalized

Yes

Acute Toxicity

Irritant

Hazard Statements

H301: Toxic if swallowed

Hazard Class

Acute toxicity, oral

Hazard Categories

Category 3, Danger

H311: Toxic in contact with skin

Hazard Class

Acute toxicity, dermal

Hazard Categories

Category 3, Danger

H315: Causes skin irritation

Hazard Class

Skin corrosion/irritation

Hazard Categories

Category 2, Warning

H319: Causes serious eye irritation

Hazard Class

Serious eye damage/eye irritation

Hazard Categories

Category 2A, Warning

H331: Toxic if inhaled

Hazard Class

Acute toxicity, inhalation

Hazard Categories

Category 3, Danger

Precautionary Statements

General Statements

P101: If medical advice is needed, have product container or label at hand.
P102: Keep out of reach of children.
P103: Read carefully and follow all instructions.

Disposal Statements

P501: Dispose of contents/container to ...

Prevention Statements

P264: Wash hands [and …] thoroughly after handling.
P270: Do not eat, drink or smoke when using this product.
P280: Wear protective gloves/protective clothing/eye protection/face protection/hearing protection/...
P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes.
P261: Avoid breathing dust/fume/gas/mist/vapors/spray.
P271: Use only outdoors or in a well-ventilated area.

Response Statements

P301+P316: IF SWALLOWED: Get emergency medical help immediately.
P321: Specific treatment (see ... on this label).
P330: Rinse mouth.
P302+P352: IF ON SKIN: wash with plenty of water/...
P316: Get emergency medical help immediately.
P361+P364: Take off immediately all contaminated clothing and wash it before reuse.
P332+P317: If skin irritation occurs: Get medical help.
P362+P364: Take off contaminated clothing and wash it before reuse.
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.
P337+P317: If eye irritation persists: Get medical help.
P304+P340: IF INHALED: Remove person to fresh air and keep comfortable for breathing.

Storage Statements

P405: Store locked up.
P403+P233: Store in a well-ventilated place. Keep container tightly closed.

Related Article(s)

Bromophenols: types and applicationsJun 4, 2023

Bromophenols are the products obtained from the halogenation of phenol by electrophilic bromine. It is a powder that can range in colour from tan to orange, and it is used as an indicator of acid and base.

Bromides: History, sources, types, applications and hazards Aug 10, 2022

Bromine is located in the periodic table's halogens group, and its negatively charged form (Br) is an ion known as a bromide ion. Bromides that are colourless and have a wide range of uses, including anticonvulsants, flame retardants, and cell stains.

Aryls: Structure, nomenclature, types and applicationsAug 3, 2022

An aryl group is the name given to the functional group that is produced when an aromatic ring complex is reduced to its simplest form by removing one hydrogen atom. The aromatic ring will almost always be constituted by a hydrocarbon in most instances.

Amines: Synthesis, classification, biochemical significance, applications and hazardsJul 18, 2022

Amines are the compounds that have nitrogen atoms with a lone pair. They are either gaseous when they are at room temperature or vaporized when they are heated quickly. They have a fishy smell at low molecular weight.

Methylphenol: Common isomers, structure, synthesis, applications and natural sourcesJun 28, 2022

Methylphenol is an aromatic compound with a chemical structure represented by the formula CH3C6H4(OH). Its molar mass is 108.140 gmol and these compounds exist in both liquid and solid state.