2-Azocanone

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Names

[ CAS No. ]:
673-66-5

[ Name ]:
2-Azocanone

[Synonym ]:
2-Azocanone
MFCD00003271
2-Azocinol, 3,4,5,6,7,8-hexahydro-, (1E)-
Azocan-2-on
EINECS 211-611-9
(1E)-3,4,5,6,7,8-Hexahydro-2-azocinol
2(1H)-Azocinone, hexahydro-
Azocan-2-one

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
287.6±0.0 °C at 760 mmHg

[ Melting Point ]:
35-38 °C(lit.)

[ Molecular Formula ]:
C7H13NO

[ Molecular Weight ]:
127.184

[ Flash Point ]:
143.3±3.4 °C

[ Exact Mass ]:
127.099716

[ PSA ]:
29.10000

[ LogP ]:
0.24

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.445

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CN4810000
CHEMICAL NAME :
2(1H)-Azocinone, hexahydro-
CAS REGISTRY NUMBER :
673-66-5
BEILSTEIN REFERENCE NO. :
0108987
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H13-N-O
MOLECULAR WEIGHT :
127.21
WISWESSER LINE NOTATION :
T8MVTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
270 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - analgesia
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 60,1058,1971
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 50,199,1903

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CN4810000

[ HS Code ]:
2933790090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Cycloheptanone
  • CYCLOHEPTANONE OXIME
  • ((((7-azidoheptanoyl)thio)methyl)diphenylphosphonio)trihydroborate
  • 7-Aminoheptanoic acid
  • 1-ethylazocan-2-one
  • 7-Azidoheptanoic acid
  • 1,1-bis(methylthio)cycloheptane
  • 1-methylazocan-2-one
  • 1-isopropyloctahydroazocin-2-one

DownStream

  • 7-Aminoheptanoic acid
  • 7-Amino-1-heptanol
  • 1-(2-chloroethyl)azocane
  • 2-(azocan-1-yl)ethanol
  • 1-methylazocan-2-one
  • 3,3-dichloroazocan-2-one
  • Azocane-2-carboxylic acid
  • 1-ethylazocan-2-one
  • Heptamethyleneimine
  • heptanamide

Customs

[ HS Code ]: 2933790090

[ Summary ]:
2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

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Related Compounds

  • 3-Chloro-2-azocanone
  • 3,3-Dichloro-2-azocanone
  • 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
  • 2-[(4-aminobenzoyl)-benzylamino]ethyl-diethylazanium,chloride
  • 2-methyl-2-methylsulfanylpropanenitrile
  • 2-((4-(1-METHYL-4-(PYRIDIN-4-YL)-1H-PYRAZOL-3-YL)PHENOXY)METHYL)QUINOLINE SUCCINATE
  • N~4~-(3-fluorophenyl)-1-phenyl-N~6~-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
  • 2-[4-(Benzyloxy)phenyl]cyclobutan-1-one
  • Benzyl 3-(hydroxymethyl)-1,2,3,4-tetrahydroquinoline-1-carboxylate
  • 3-(3,3-Dimethylbut-1-yn-1-yl)benzaldehyde
  • N-benzyloxycarbonyl-2(R,S)-hydroxymethyl-3,4-dihydro-2H-1,4-benzoxazine
  • 2-(3,3-Dimethylbut-1-yn-1-yl)-5-fluorobenzaldehyde
  • [(1-Bromomethyl-cyclopropyl)methoxymethyl]-benzene
  • 2-(Thiophen-2-yl)cyclobutan-1-one
  • (1,2,3,4-tetrahydro-quinolin-3(R,S)-yl)-carbamic acid methyl ester
  • 1-[3-(3,3-Dimethylbut-1-yn-1-yl)phenyl]ethan-1-one
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