CAS 39684-28-1 O-tert-butylhydroxylamine hydrochloride (HCID 2777906)

Names & identifiers

Preferred name: O-tert-butylhydroxylamine hydrochloride
IUPAC: O-tert-butylhydroxylamine;hydrochloride
English name: O-tert-Butylhydroxylamine hydrochloride
Molecular formula: C4H12ClNO
Molecular weight: 125.6

Names & synonyms

39684-28-1O-tert-Butylhydroxylamine hydrochlorideO-tert-Butylhydroxylamine HClEINECS 254-590-1DTXSID40192776RefChem:855326DTXCID80115267254-590-1O-(tert-Butyl)hydroxylamine hydrochlorideO-tert-butylhydroxylamine;hydrochloridetert-butoxyamine hydrochlorideMFCD00043272

Show more names

O-(tert-Butyl)LABOTEST-BB LT00233214O-Tert-ButylhydroxylamineHClO-tert-butylhydroxyaminehydrochlorideO-(tert-Butyl)hydroxylamine hydrochloride,99%O-(tert-Butyl)hydroxylamine hydrochloride 98%

O-t-Butylhydroxylamine hydrochlorideHydroxylamine, O-(1,1-dimethylethyl)-, hydrochloride2-Aminooxy-2-methylpropane hydrochlorideO-tertbutylhydroxylamine hydrochlorideO-tert-butyl-hydroxylamine hydrochlorideBP-13192O-(1,1-Dimethylethyl)hydroxylamine hydrochlorideo-(tert-butyl)hydroxylaminehydrochloride

Database identifiers

CAS: 39684-28-1
PubChem CID: 2777906
DTXSID: DTXSID40192776
UNII: SGG3WH3XTX
EC Number: 254-590-1

Properties

Computed structural properties

Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 37.3

Physicochemical properties

Melting point: 158 · 158-159 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
solubility: 2 O: · H2O: soluble0.5g/10 mL
form: powder to crystal
color: White to Almost white
Water Solubility: 2 O: · H2O: soluble 0.5g/10 mL
BRN: 3668106 · 3668106
InChI: InChI=1S/C4H11NO.ClH/c1-4(2,3)6-5;/h5H2,1-3H3;1H
InChIKey: ZBDXGNXNXXPKJI-UHFFFAOYSA-N
SMILES: C(C)(C)(C)ON.Cl
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 228 · H228
Precautionary statements: 210 · P210
PPE: 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: F
Risk Statements: 11 · 11
RIDADR: 1325 · UN 1325 4.1/PG 3
WGK Germany: 3 · 3
F: 10 · 10
HazardClass: 4.1 · 4.1
PackingGroup: Ⅲ
HS Code: 29280090 · 29280090
Storage Class: 4.1 B · 4.1B - Flammable solid hazardous materials
Hazard Classifications: 2 · Flam. Sol. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H228 (98.6%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 70 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Sol. 2 (98.6%)

Safety data

F: 10
PPE: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 1325 4.1/PG 3
hs_code: 29280090
risk_code: 11
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: F
hazard_class: 4.1
Storage Class: 4.1B - Flammable solid hazardous materials
packing_group: Ⅲ
Hazard statements: H228
Hazard Classifications: Flam. Sol. 2
Precautionary statements: P210

Chemistry & industry

Applications · 3 items

UsesReactant involved in synthesis of biologically active molecules including:• ;CGS 25966 derivatives for use as MMP inhibitors1• ;Imidazolidinedione derivatives for use as antimalarial treatments2• ;Pyrimidine ribonucleotide analogs as P2Y6 receptor agonists3• ;Rab proteins for isoprenylation and geranylgeranylation inhibition4Reactant involved in:• ;Synthesis of N-(arylethyl)-O-tert-butylhydroxamates for use as Weinreb amide equivalents5• ;Double allylic alkylation of indole-2-hydroxamates6• ;SN2 substitution reactions at amide nitrogens7• ;Photoc

UsesO-tert-Butylhydroxylamine Hydrochloride is an reactant used in various synthesis of biologically active molecules such as camptothecin derivatives that exerts anti-tumor activity, oxime derivatives as GPR119 agonists and their preparation and highly Potent Matrix Metalloproteinase Inhibitors.

UsesReactant involved in synthesis of biologically active molecules including:CGS 25966 derivatives for use as MMP inhibitorsImidazolidinedione derivatives for use as antimalarial treatmentsPyrimidine ribonucleotide analogs as P2Y6 receptor agonistsRab proteins for isoprenylation and geranylgeranylation inhibitionReactant involved in:Synthesis of N-(arylethyl)-O-tert-butylhydroxamates for use as Weinreb amide equivalentsDouble allylic alkylation of indole-2-hydroxamatesSN2 substitution reactions at amide nitrogensPhotocycloaddition to C=N bonds for synthesis of 1,3-diazepines