(2H12)Cyclohexane

HCID 123129CAS 1735-17-7

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Basic information

Standard SMILES: [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIKey: XDTMQSROBMDMFD-LBTWDOQPSA-N
Molecular formula: C6H12
Average molar mass: 96.2352 g/mol
Monoisotopic mass: 96.16922134

Names & identifiers

Preferred name: (2H12)Cyclohexane
IUPAC: (~2~H_12_)Cyclohexane
English name: Cyclohexane-d12
Molecular formula: C6D12
Molecular weight: 96.23

Names & synonyms

CycohexaneCyclohexane-d12(2H12)CyclohexaneCyclohexaneD12>99.7%PerdeuterocyclohexaneCyclohexane-d12 NO.DODECADEUTEROCYCLOHEXANEBROMOBENZENE-500G(99.5%)CYCLOHEXANE-D12,99.7ATOM%DCYCLOHEXANE-D12 (D, 99.5%)

Database identifiers

CAS: 1735-17-7
PubChem CID: 123129
DTXSID: DTXSID80169624
EC Number: 217-077-3
Nikkaji: J95.386E

Properties

Physicochemical properties

Melting point: 6.5 °C · 6.5°C
Boiling point: 80 · 80,7°C
Density: 0.893 g/mL · 0.893 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.421(lit.)
Flash point: 1 °F · −1 °F
storage temp.: Flammables area
solubility: 55 mg/l · 55mg/l insoluble
form: Liquid
color: Clear colorless
Solvent Residual Peak: 1 H · 1H NMR：1.38 ppm (s)13C NMR：26.43 ppm (quint)
explosive limit: 1.2 · 1.2-8.3%(V)
Water Solubility: Insoluble in water.
BRN: 1908842 · 1908842
Stability: Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flash point. Protect from moisture. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
InChIKey: XDTMQSROBMDMFD-LBTWDOQPSA-N
SMILES: C1([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
CAS DataBase Reference: 1735 · 1735-17-7(CAS DataBase Reference)
UNSPSC Code: 12142201 · 12142201
NACRES: 21 · NA.21
Symbol(GHS): 2 · GHS02,GHS07,GHS08,GHS09
Signal word: Danger
Hazard statements: 225 · H225-H304-H315-H336-H410
Precautionary statements: 210 · P210-P233-P273-P301+P310-P303+P361+P353-P331
target organs: Central nervous system
Hazard Codes: F,Xn,N
Risk Statements: 11 · 11-38-50/53-65-67
Safety Statements: 9 · 9-16-25-33-60-61-62-51
RIDADR: 1145 · UN 1145 3/PG 2
WGK Germany: 3 · 3
F: 9 · 9
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29021100 · 29021100
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

F: 9
wgk: 3
ridadr: UN 1145 3/PG 2
hs_code: 29021100
risk_code: 11-38-50/53-65-67
Signal word: Danger
Symbol(GHS): GHS02,GHS07,GHS08,GHS09
hazard_code: F,Xn,N
safety_code: 9-16-25-33-60-61-62-51
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Central nervous system
Hazard statements: H225-H304-H315-H336-H410
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P233-P273-P301+P310-P303+P361+P353-P331

Chemistry & industry

Applications · 2 items

UsesIt is a commonsolventused inNMR spectroscopy.

General DescriptionCyclohexane-d12, a deuterated cyclohexane, is a standard purity solvent useful for routine NMR (Nuclear Magnetic Resonance) studies. Its infrared (vapor and liquid phase in the range of 376-4000cm-1) and Raman (liquid phase) spectral investigations have been reported. Ring inversion of cyclohexane-d12 has been studied by recording its deuterium NMR spectrum in the temperature range -36 to +115°C. It can be prepared by reacting benzene-d6 and deuterium.

Upstream & downstream products

Downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

盐城通铭生物科技有限公司15195160625 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

武汉鹏垒生物科技有限公司15871464247 · [email protected]

湖北云镁科技有限公司027-59206672 18995657604 · [email protected]

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