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4-broMo-3-Methylbenzene-1,2-diaMine

4-broMo-3-Methylbenzene-1,2-diaMine structure

CAS No:
952511-74-9
Formula:
C7H9BrN2
Chemical Name:
4-broMo-3-Methylbenzene-1,2-diaMine
Synonyms:
4-Bromo-3-methylbenzene-1,2-diamine;4-Bromo-3-methyl-1,2-benzenediamine;4-bromo-3-methyl-benzene-1,2-diamine;1,2-Benzenediamine, 4-bromo-3-methyl-;SCHEMBL145182;CTK8C3513;DTXSID90731275;6384AC;ANW-70192;MFCD18642364
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-broMo-3-Methylbenzene-1,2-diaMine Basic Attributes

Molecular Weight：

201.06376

Exact Mass：

199.994904

DSSTox ID：

DTXSID90731275

HScode：

2921590090

Characteristics

PSA：

XLogP3：

1.6

Density：

1.6±0.1 g/cm3

Boiling Point：

297.3±35.0°C at 760 mmHg

Flash Point：

133.6±25.9 °C

Refractive Index：

1.670

4-broMo-3-Methylbenzene-1,2-diaMine Use and Manufacturing

step 2: A mixture of 154 (40 g, 154 mmol), SnCl2-2H20 (208 g, 920 mmol), EtOAc (300 mL) and EtOH (150 mL) was heated to 80 °C for 12 h, cooled to RT, poured into crushed ice (2 Kg) and the pH adjusted to pH 7-8 with solid NaHCC>3. The solid was filtered and washed with EtOAc. The filtrate was thrice extracted with EtOAc. The combined extracts were washed with brine, dried (Na2SO (), filtered and concentrated in vacuo. The crude product was purified by Si02 chromatography eluting with an EtOAc/hexane gradient (10 to 50percent EtOAc) to afford 28 g (91percent) of 4-bromo-3 -methyl- 1, 2- benzenediamine (156) as a brown oil: MS (ESI) m/z = 202 [M+l]+.

Computed Properties

Molecular Weight:201.06
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:199.99491
Monoisotopic Mass:199.99491
Topological Polar Surface Area:52
Heavy Atom Count:10
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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high quality C7H9BrN2 99% transparent liquid KANBEI

CAS No.: 952511-74-9

Grade: Industrial Grade

Content: 99%

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Guide of 4-broMo-3-Methylbenzene-1,2-diaMine

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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4-broMo-3-Methylbenzene-1,2-diaMine

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