Basic information
- CAS
142356-33-0- Standard SMILES
CC(C)(C)OC(=O)NCCCCCCBr- InChIKey
NXQXVXILNVTMNA-UHFFFAOYSA-N- Molecular formula
- C11H22BrNO2
- Average molar mass
- 280.2 g/mol
- Monoisotopic mass
- 279.08339104
Names & identifiers
- Preferred name
- tert-Butyl (6-bromohexyl)carbamate
- IUPAC
- tert-butyl N-(6-bromohexyl)carbamate
- English name
- 6-(Boc-amino)-hexyl bromide
- Molecular formula
- C11H22BrNO2
- Molecular weight
- 280.2
Names & synonyms
142356-33-0tert-Butyl (6-bromohexyl)carbamateDTXSID70583411RefChem:383072DTXCID80534176N-Boc-6-bromohexylamineN-Boc-6-Bromo-hexylaminetert-Butyl N-(6-bromohexyl)carbamateBoc-NH-C6-Br6-(Boc-amino)hexyl bromideMFCD06201019tert-butyl 6-bromohexylcarbamate
Show more names
N-Boc-6-BroMohexylaMinN-BOC-6-bromohexanamineert-Butyl(6-bromohexyl)carbamateN-Boc-6-Bromohexylamine≥ 95% (NMR)6-(Boc-amino)hexyl bromide >=97.0% (GC)N-(tert-Butoxycarbonyl)-6-broMohexylaMine6-(N-t-butyloxycarbonylamino)hexyl bromide
tert-Butyl(6-bromohexyl)carbamateCarbamic acid, (6-bromohexyl)-, 1,1-dimethylethyl ester(6-Bromohexyl)carbamic Acid tert-Butyl Ester(6-bromo-hexyl)-carbamic acid tert-butyl esterorb1307501orb1940671SCHEMBL1041731N-(6-Bromohexyl)carbamic Acid 1,1-Dimethylethyl Ester
Database identifiers
- CAS
142356-33-0- PubChem CID
- 16211353
- DTXSID
DTXSID70583411- EC Number
- 627-894-0
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 340.1 · 340.1±25.0 °C(Predicted)
- Density
- 1.192 g/mL · 1.192 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.473
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Sparingly), Methanol (Slightly)
- pka
- 12.91 · 12.91±0.46(Predicted)
- form
- liquid
- color
- Colourless to light yellow
- InChI
- InChI=1S/C11H22BrNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9H2,1-3H3,(H,13,14)
- InChIKey
- NXQXVXILNVTMNA-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NCCCCCCBr
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (25%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3082 9/PG 3
- hs_code
- 2924190090
- risk_code
- 41-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,N
- safety_code
- 26-39-61
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses6-(BOC-AMINO)-HEXYL BROMIDE is an intermediate used in the synthesis of fluorescent indicators and various inhibitors
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司
Related reactions
16 records
Compound notes
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