기본 정보
- 표준 SMILES
C=C(C)C=C(C)C- InChIKey
CMSUNVGIWAFNBG-UHFFFAOYSA-N- 분자식
- C7H12
- 평균 분자량
- 96.17 g/mol
- 단동위원소 질량
- 96.09390038
이름 및 식별자
- 우선 이름
- 2,4-Dimethylpenta-1,3-diene
- IUPAC
- 2,4-dimethylpenta-1,3-diene
- 현지명
- 2,4-다이메틸-1,3-펜타디엔
- 영어명
- 2,4-DIMETHYL-1,3-PENTADIENE
- 분자식
- C7H12
- 분자량
- 96.17
이름 및 동의어
2,4-Dimethyl-1,3-pentadiene1000-86-82,4-Dimethylpenta-1,3-diene1,3-Pentadiene, 2,4-dimethyl-6CJ16Y4NXUEINECS 213-677-4UNII-6CJ16Y4NXUNSC 123451NSC-123451CMSUNVGIWAFNBG-UHFFFAOYSA-DTXSID60142854(CH3)2C=CHC(CH3)=CH2
이름 더 보기
2,4-다이메틸-1,3-펜타디엔2,4-디메틸-1,3-펜타디엔2,4-다이메틸-1,3-펜타디엔(2,4-DIMETHYL-1,3-PENTADIENE)1,1,3-Trimethylbutadiene2,4-Dimethyl-2,4-pentadiene2,4-dimethyl-penta-1,3-diene1,3-pentadiene,2,4-dimethyl-1,1,3-Trimethyl-1,3-butadiene2,4-DIMETHYL-1,3-PENTADIENE 98%
2,4-DIMETHYLPENTA-2,4-DIENE1,3-, 2PENTADIENE,4-DIMETHYL-RefChem:82542DTXCID60653451,3-Pentadiene, 2,4-dimethyl-(8CI)1,3-Pentadiene, 2,4-dimethyl-(8CI)(9CI)213-677-4CMSUNVGIWAFNBG-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
1000-86-8- PubChem CID
- 66080
- DTXSID
DTXSID60142854- UNII
- 6CJ16Y4NXU
- EC Number
- 213-677-4
- Nikkaji
- J102.043I
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 92.6
실험 및 물리화학적 성질
SpringerMaterials PropertiesDensity
물리화학적 성질
- 녹는점
- -114 ℃ · -114℃
- 끓는 점
- 94 °C · 94 °C (lit.)
- 밀도
- 0.744 g/mL · 0.744 g/mL at 25 °C (lit.)
- 증기압
- 67 mm · 67 mm Hg ( 37.7 °C)
- 굴절률
- 20 · n20/D 1.441(lit.)
- 인화점
- 50 °F · 50 °F
- 저장 조건
- Flammables area
- 물리적 상태
- 액체
- 색상
- 무색투명~연황색
- InChI
- InChI=1S/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3
- InChIKey
- CMSUNVGIWAFNBG-UHFFFAOYSA-N
- SMILES
- C=C(C)/C=C(\C)/C
화학적 성질
CLEAR COLORLESS TO LIGHT YELLOW LIQUID
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3295 3/PG 2
- HS 번호
- 29012900
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- 포장분류
- II
- 위험 등급
- 3.1
- 기존화학 물질
- KE-11730
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도2,4-Dimethyl-1,3-pentadiene has been used to study the structure of its various conformational isomers and their vibrational spectra.
상·하류 제품 정보
상류 원료
공급사33 곳
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