CAS 583-68-6 2-Bromo-4-methylaniline (HCID 11422)

Overview

structure in first source

Names & identifiers

Preferred name: 2-Bromo-4-methylaniline
IUPAC: 2-bromo-4-methylaniline
English name: 2-Bromo-4-methylaniline
Molecular formula: C7H8BrN
Molecular weight: 186.05

Names & synonyms

2-Bromo-4-methylaniline583-68-62-Bromo-p-toluidineBenzenamine, 2-bromo-4-methyl-2-bromo-4-methylphenylamineNSC-70928R3L8JW7L2DTXSID1060396RefChem:561676DTXCID6042361209-515-74-Amino-3-bromotoluene

Show more names

4-methyl-2-bromoaniline2-Bromo-p-toluidAKOS BBS-000036522-Brom-p-toluidin2-bromo-p-toluidino-Bromo-p-toluidine2-Bromo-4-methylanil

2-Bromo-4-methylbenzenamine2-bromo-4-methyl-phenylamine3-bromo-4-aminotoluenep-TOLUIDINE, 2-BROMO-MFCD000076352-bromo-4-methyl-aniline2-Bromo-4-toluidine2-Bromotoluidine

Database identifiers

CAS: 583-68-6
PubChem CID: 11422
DTXSID: DTXSID1060396
UNII: 8R3L8JW7L2
EC Number: 209-515-7
Nikkaji: J85.080B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 14 · 14-16 °C (lit.)
Boiling point: 240 °C · 240 °C (lit.)
Density: 1.5 g/mL · 1.5 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.602(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly)
form: Oil
pka: 2.97 · 2.97±0.10(Predicted)
color: Dark Yellow to Dark Beige
Specific Gravity: 1.5 · 1.500
Water Solubility: Insoluble in water.
BRN: 1931711 · 1931711
Stability: Air Sensitive
InChI: 1S/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey: UVRRJILIXQAAFK-UHFFFAOYSA-N
SMILES: Cc1ccc(N)c(Br)c1
CAS DataBase Reference: 583 · 583-68-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 2 · Benzenamine, 2-bromo-4-methyl-(583-68-6)
EPA Substance Registry System: 2 · Benzenamine, 2-bromo-4-methyl- (583-68-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331
Precautionary statements: 261 · P261-P280-P301+P310-P311
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T,Xi,Hazard
Risk Statements: 23 · 23/24/25-36/37/38-33-20/21/22
Safety Statements: 36 · 36/37/39-45-26
RIDADR: 2810 · UN 2810 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 4300000 · XU4300000
Hazard Note: Irritant/Toxic
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29214300 · 29214300
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.9%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: XU4300000
ridadr: UN 2810 6.1/PG 3
hs_code: 29214300
risk_code: 23/24/25-36/37/38-33-20/21/22
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T,Xi,Hazard
hazard_note: Irritant/Toxic
safety_code: 36/37/39-45-26
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301+H311+H331
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
Precautionary statements: P261-P280-P301+P310-P311

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 2-bromo-4-methyl-: INACTIVE

Applications · 2 items

Uses2-Bromo-4-methylaniline has been used in the synthesis of iminophosphoranes.

General Description2-Bromo-4-methylaniline participates in palladium catalyzed selective amination of 3-bromoquinoline to yield 3-(2-bromo-4-methylphenylamino) quinoline. It reacts with ethyl and methyl imidazo[1,2-a]pyridine-2-carboxylates in the presence of Me3Al to form amide.

Upstream & downstream products

Upstream raw materials

Downstream products

2-Bromo-4-methylphenol 3-Bromotoluene 2-BROMO-4-METHYLBENZONITRILE 5-Methylindole 2'-BROMO-4'-METHYLACETANILIDE 5-METHYLINDOLE-3-CARBOXYLIC ACID METHYL ESTER 5-METHYL-2-PHENYLINDOLE 2-Chloro-6-methylbenzothiazole 2-Amino-5-Methyl-Benzonitrile 2-Bromo-4-methylbenzaldehyde

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

51 records

New reaction record

HRID 117161As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 131312As reactantuspto-grants-2008_06

HRID 142635As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 153025As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161633As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 170535As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 180561As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 182279As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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Basic information