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196713-98-1

196713-98-1 Structure

196713-98-1 Structure
IdentificationBack Directory
[Name]

2-Bromo-3-methyl-indole-1-carboxylic acid tert-butyl ester
[CAS]

196713-98-1
[Synonyms]

N-Boc-2-bromo-3-methylindole
N-Boc-2-bromo-3-methylindole 97%
1-(tert-Butyloxycarbonyl)-2-bromo-3-methylindole
tert-Butyl 2-bromo-3-methyl-1H-indole-1-carboxylate
2-Bromo-3-methyl-indole-1-carboxylic acid tert-butyl ester
1H-Indole-1-carboxylic acid, 2-bromo-3-methyl-, 1,1-dimethylethyl ester
[Molecular Formula]

C14H16BrNO2
[MDL Number]

MFCD22200500
[MOL File]

196713-98-1.mol
[Molecular Weight]

310.19
Chemical PropertiesBack Directory
[Melting point ]

160-170℃
[Boiling point ]

384.4±34.0 °C(Predicted)
[density ]

1.34±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[InChI]

1S/C14H16BrNO2/c1-9-10-7-5-6-8-11(10)16(12(9)15)13(17)18-14(2,3)4/h5-8H,1-4H3
[InChIKey]

NVJYNNQGUPOOCB-UHFFFAOYSA-N
[SMILES]

Cc1c(Br)n(C(=O)OC(C)(C)C)c2ccccc12
Safety DataBack Directory
[Hazard Codes ]

T,N
[Risk Statements ]

25-50/53
[Safety Statements ]

45-60-61
[RIDADR ]

UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
[WGK Germany ]

3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
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