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tert-Butyl 4-chloro-3-(hydroxymethyl)-1H-indole-1-carboxylate

HCID 40428528
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
914349-01-2
Standard SMILES
CC(C)(C)OC(=O)n1cc(CO)c2c(Cl)cccc21
InChIKey
HUSIAONIRALTNE-UHFFFAOYSA-N
Molecular formula
C14H16ClNO3
Average molar mass
281.739 g/mol
Monoisotopic mass
281.08187105

Names & identifiers

Preferred name
tert-Butyl 4-chloro-3-(hydroxymethyl)-1H-indole-1-carboxylate
IUPAC
tert-Butyl 4-chloro-3-(hydroxymethyl)-1H-indole-1-carboxylate
English name
1-Boc-4-chloro-3-hydroxymethylindole
Molecular formula
C14H16ClNO3
Molecular weight
281.73

Names & synonyms

1-Boc-4-chloro-3-hydroxymethylindole4-Chloro-3-hydroxymethylindole,N-BOCprotected98%tert-Butyl 4-chloro-3-(hydroxyMethyl)-1H-indole-1-carboxylate1H-Indole-1-carboxylic acid, 4-chloro-3-(hydroxymethyl)-, 1,1-dimethylethyl ester

Database identifiers

CAS
914349-01-2
PubChem CID
40428528
DTXSID
DTXSID50654315

Properties

Physicochemical properties

Boiling point
425 · 425.0±53.0 °C(Predicted)
Density
1.25 · 1.25±0.1 g/cm3(Predicted)
pka
14.02 · 14.02±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H332-H335
Precautionary statements
261 · P261-P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Suppliers6 total

Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
浙江联硕生物科技有限公司18616526224 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

1 records
New reaction record
HRID 1747347 reaction equation
HRID 1747347As reactantuspto-grants-2015_10

Compound notes

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