ChemicalBook--->CAS DataBase List--->1121-92-2

1121-92-2

1121-92-2 Structure

1121-92-2 Structure
IdentificationMore
[Name]

1,7-HEPTANEDIOL
[CAS]

1121-92-2
[Synonyms]

1,7-DIHYDROXYHEPTANE
1,7-HEPTANEDIOL
AZACYCLOOCTANE
HEPTAMETHYLENE GLYCOL
HEPTAMETHYLENEIMINE
LABOTEST-BB LTBB000749
OCTAHYDROAZOCINE
Azocane
Azocine, octahydro-
Azocine,octahydro-
Heptamethylenimine
octahydro-azocin
Perhydroazocine
Perhydroa-zocine
HEPTAMETHYLENEIMINE 98%
CYCLOHEPTAMETHYLENIMINE
Azacyclooctane, Octahydroazocine
1-Azacyclooctane
[EINECS(EC#)]

211-085-0
[Molecular Formula]

C7H16O2
[MDL Number]

MFCD00002987
[Molecular Weight]

132.2
[MOL File]

1121-92-2.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
[Melting point ]

17-19 °C(lit.)
[Boiling point ]

51-53 °C/15 mmHg (lit.)
[density ]

0.951 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.471(lit.)
[Fp ]

85 °F
[storage temp. ]

2-8°C, protect from light
[form ]

liquid
[pka]

pK1: 11.1(+1) (25°C)
[color ]

Clear
[BRN ]

102615
[InChI]

1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2
[InChIKey]

QXNDZONIWRINJR-UHFFFAOYSA-N
[SMILES]

C1CCCNCCC1
[CAS DataBase Reference]

1121-92-2(CAS DataBase Reference)
[EPA Substance Registry System]

Azocine, octahydro- (1121-92-2)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)
GHS02,GHS05
[Signal word ]

Danger
[Hazard statements ]

H226-H314
[Precautionary statements ]

P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

C
[Risk Statements ]

R10:Flammable.
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[RTECS ]

MI9804000
[TSCA ]

TSCA listed
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29339900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium carbonate-->Phosphorus pentasulfide-->Hydrogen Sulfide-->Potassium borohydride-->Activated carbon,decolor-->2-Azacyclooctanone-->Benzenesulfonamide, N-(7-bromoheptyl)-4-methyl--->Azocine, octahydro-1-[(4-methylphenyl)sulfonyl]--->CYCLOHEPTANONE OXIME-->1,7-DIBROMOHEPTANE-->Heptanamide-->4-Nitrophenol-->Cycloheptanone
[Preparation Products]

guanethidine-->hexahydro-2H-azocine-1-ethylamine
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
[Uses]

1,7-HEPTANEDIOL is an organic synthesis intermediate used in the manufacture of the antihypertensive drug guanethidine.
[Definition]

ChEBI: Azocane is a saturated organic heteromonocyclic parent, a member of azocanes and an azacycloalkane.
Spectrum DetailBack Directory
[Spectrum Detail]

1,7-HEPTANEDIOL(1121-92-2)MS
1,7-HEPTANEDIOL(1121-92-2)1HNMR
1,7-HEPTANEDIOL(1121-92-2)13CNMR
1,7-HEPTANEDIOL(1121-92-2)IR1
1,7-HEPTANEDIOL(1121-92-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1121-92-2(sigmaaldrich)
[TCI AMERICA]

Heptamethyleneimine,>98.0%(GC)(1121-92-2)
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