1,3-Dicarboxyadamantane

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Names

[ CAS No. ]:
39269-10-8

[ Name ]:
1,3-Dicarboxyadamantane

[Synonym ]:
MFCD00167790
1,3-Dicarboxyadamantane
(1s,3s,5r,7r)-Adamantane-1,3-dicarboxylic acid
1,3-Adamantanedicarboxylic acid
Tricyclo[3.3.1.1]decane-1,3-dicarboxylic acid
EINECS 254-395-1
adamantane-1,3-dicarboxylic acid

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
380.6±15.0 °C at 760 mmHg

[ Melting Point ]:
276-278 °C(lit.)

[ Molecular Formula ]:
C12H16O4

[ Molecular Weight ]:
224.253

[ Flash Point ]:
198.1±16.9 °C

[ Exact Mass ]:
224.104858

[ PSA ]:
74.60000

[ LogP ]:
1.27

[ Vapour Pressure ]:
0.0±1.9 mmHg at 25°C

[ Index of Refraction ]:
1.625

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YD1994000
CHEMICAL NAME :
Tricyclo(3.3.1.1(sup 3,7))decane-1,3-dicarboxylic acid
CAS REGISTRY NUMBER :
39269-10-8
BEILSTEIN REFERENCE NO. :
3141149
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H16-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 8,396,1974

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
YD1994000

[ HS Code ]:
2917209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • carbon monoxide
  • Adamantane
  • Formic Acid
  • 1,3-Adamantandiol
  • 1-Bromoadamantane
  • Adamantane-1-carboxylic acid
  • dinitrate of 1,3-adamantanediol
  • 3-nitrooxyadamantane-1-carboxylic acid

DownStream

  • Adamantane
  • Dimethyl 1,3-adamantanedicarboxylate
  • 1,3-adamantanedicarbonyl dichloride
  • 1,3-adamantanedimethanol
  • 1,3-adamantanedicarbonitrile
  • 1,3-adamantanedicarboxamide
  • 1,3-adamantanedimethanamine

Customs

[ HS Code ]: 2917209090

[ Summary ]:
2917209090 other cyclanic, cyclenic or cyclotherpenic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

Related Compounds

  • 1,3-BIS(PHENYLMETHYL)-2-(2-THIENYL)-IMIDAZOLIDINE
  • 1,3-PROPANEDIONE, 1-(5-CHLORO-2-HYDROXY-3-NITROPHENYL)-3-(4-CHLOROPHENYL)-
  • 1-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylicacid
  • 1,3-PROPANEDIONE, 1-(5-CHLORO-2-HYDROXY-3-NITROPHENYL)-3-(4-NITROPHENYL)-
  • 1,3-Difluoropropan-2-amine
  • 1,3-Adamantanediol dimethacrylate
  • Benzyl 8-bromo-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
  • benzyl N-[3-(hydroxymethyl)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]carbamate
  • (9H-fluoren-9-yl)methyl N-{[4-(hydroxymethyl)-1-methyl-2-oxabicyclo[2.1.1]hexan-3-yl]methyl}carbamate
  • tert-butyl N-{[3-(hydroxymethyl)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]methyl}carbamate
  • Benzyl 4-(hydroxymethyl)-1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
  • 1-(Oxolane-3-carbonyl)piperazine hydrochloride
  • (9H-fluoren-9-yl)methyl 4-ethyl-1-(hydroxymethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
  • {8-Ethyl-2-oxaspiro[4.5]decan-1-yl}methanesulfonamide
  • (9H-fluoren-9-yl)methyl N-[3-(3-hydroxy-1,2-oxazol-5-yl)propyl]carbamate
  • rac-(9H-fluoren-9-yl)methyl N-[(1R,3S)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
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