Cyclohexane-D12

HCID 123129CAS 1735-17-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIKey
XDTMQSROBMDMFD-LBTWDOQPSA-N
분자식
C6H12
평균 분자량
96.23 g/mol
단동위원소 질량
96.16922134

이름 및 식별자

우선 이름
Cyclohexane-D12
IUPAC
1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriocyclohexane
영어명
Cyclohexane-d12
분자식
C6D12
분자량
96.23

이름 및 동의어

Cyclohexane-d12(2H12)Cyclohexane[2H12]cyclohexaneEINECS 217-077-3DTXSID80169624UN1145Deuterated cyclohexaneRefChem:129546DTXCID5092115217-077-3XDTMQSROBMDMFD-LBTWDOQPSA-N1735-17-7
이름 더 보기
CycohexaneCyclohexaneD12>99.7%PerdeuterocyclohexaneCyclohexane-d12 NO.DODECADEUTEROCYCLOHEXANEBROMOBENZENE-500G(99.5%)CYCLOHEXANE-D12,99.7ATOM%DCYCLOHEXANE-D12 (D, 99.5%)
Cyclohexane D12 >99.5%CYCLOHEXANE-1,1,2,2,3,3,4,4,5,5,6,6-D121,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriocyclohexaneMFCD00044212Cyclohexane, d12Cyclohexane-d12 (reagent grade)Cyclohexane-d12, >=99.6 atom % DCyclohexane #

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.4
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
6

실험 및 물리화학적 성질

SolventsSolvents -> Aliphatics, Saturated (<C12)
Physical DescriptionLiquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
6.5 °C · 6.5°C
끓는 점
80 · 80,7°C
밀도
0.893 g/mL · 0.893 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.421(lit.)
인화점
1 °F · −1 °F
저장 조건
Flammables area

화학적 성질

colourless liquid with mild odour

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationCyclohexane-D12: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryAn irritant; High vapor concentrations can cause narcotic effects; Harmful by ingestion (may cause lung damage by aspiration); [Alfa Aesar MSDS] See Cyclohexane. See Deuterium.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk
3
ridadr
UN 1145 3/PG 2
HS 번호
29021100
risk_code
11-38-50/53-65-67
hazard_code
F,Xn,N
safety_code
9-16-25-33-60-61-62-51

화학 및 산업

응용 분야 · 2건

용도It is a commonsolventused inNMR spectroscopy.

일반 설명Cyclohexane-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.

상·하류 제품 정보

공급사50 곳

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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