2-Chloro-2,4,6-cycloheptatrien-1-one

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Names

[ CAS No. ]:
3839-48-3

[ Name ]:
2-Chloro-2,4,6-cycloheptatrien-1-one

[Synonym ]:
2,4,6-Cycloheptatrien-1-one, 2-chloro-
2-Chlorocyclohepta-2,4,6-trien-1-one
2-Chloro-2,4,6-cycloheptatrien-1-one
2-Chlorotropone

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
250.8±29.0 °C at 760 mmHg

[ Melting Point ]:
64-67ºC

[ Molecular Formula ]:
C7H5ClO

[ Molecular Weight ]:
140.567

[ Flash Point ]:
102.7±15.4 °C

[ Exact Mass ]:
140.002899

[ PSA ]:
17.07000

[ LogP ]:
0.85

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.559

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4025000
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 2-chloro-
CAS REGISTRY NUMBER :
3839-48-3
BEILSTEIN REFERENCE NO. :
0471390
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H5-Cl-O
MOLECULAR WEIGHT :
140.57
WISWESSER LINE NOTATION :
L7VJ BG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
93 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,918,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
47 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 53,918,1957

Safety Information

[ Symbol ]:

GHS05, GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H314-H317-H334

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
Xn

[ RIDADR ]:
UN3261 8/PG 3

[ RTECS ]:
GU4025000

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Tropolone
  • Tropolone tosylate
  • 2-Chlor-2,5-cycloheptadienon
  • TROPONE
  • 2-hydrazinylcyclohepta-2,4,6-trien-1-one
  • 3-Carboxytropolone
  • Thionyl chloride
  • benzene

DownStream

  • dimethyl 3,4-furandicarboxylate
  • Bicyclo[3.2.2]nona-3,6,8-trien-2-one,3-chloro-
  • (1S,4R,4aR,5R,9R,9aS)-dimethyl 5-chloro-6-oxo-4,4a,5,6,9,9a-hexahydro-1H-1,4-epoxy-5,9-ethenobenzo[7]annulene-2,3-dicarboxylate
  • 2-Mercapto-2,4,6-cycloheptatriene-1-thione
  • 1-phenylcyclohepta[b]pyrrol-2-one
  • 2-(2-phenylhydrazinyl)cyclohepta-2,4,6-trien-1-one
  • TROPONE
  • 2,20-bitropone
  • 2-(5-trimethylsilylpent-4-ynyl)cyclohepta-2,4,6-trien-1-one
  • 2-methoxyazulene

Customs

[ HS Code ]: 2914700090

[ Summary ]:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

Related Compounds

  • 2-Amino-2,4,6-cycloheptatrien-1-one
  • 2-PHENYL-2,4,6-CYCLOHEPTATRIEN-1-ONE
  • 2-butyl-2,4,6-cycloheptatrien-1-one
  • 2-chloro-7-phenylcyclohepta-2,4,6-trien-1-one
  • 2-chloro-4,7-diphenylcyclohepta-2,4,6-trien-1-one
  • 2,5-Diamino-2,4,6-cycloheptatrien-1-one
  • 1-[(5-ethylpyridin-2-yl)methyl]-1H-imidazol-2-amine
  • {3-[(2-amino-1H-imidazol-1-yl)methyl]oxetan-3-yl}methanol
  • 1-(4-methoxybutan-2-yl)-5-methyl-1H-pyrazol-3-amine
  • N-[2-[2-[3-[[4-(11,12-Didehydrodibenz[b,f]azocin-5(6H)-yl)-4-oxobutyl]amino]-3-oxopropoxy]ethoxy]ethyl]-2,5-dihydro-2,5-dioxo-1H-Pyrrole-1-propanamide
  • Bis((4S,5S)-4,5-diphenyl-4,5-dihydrooxazol-2-yl)methane
  • 3-Amino-1-(4-methoxybutan-2-yl)-1,2-dihydropyridin-2-one
  • Methyl 2-(N-(2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)ethyl)-2-(6-amino-9H-purin-9-yl)acetamido)acetate
  • 5-Amino-3-bromo-1-(4-methoxybutan-2-yl)-1,2-dihydropyridin-2-one
  • (11bR)-2,6-Bis(3,5-bis(trimethylsilyl)phenyl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide
  • 1-[(butan-2-yloxy)methyl]-5-methyl-1H-pyrazol-3-amine
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