기본 정보
- CAS
4313-57-9- 표준 SMILES
CC1=CCC=CC1- InChIKey
QDXQAOGNBCOEQX-UHFFFAOYSA-N- 분자식
- C7H10
- 평균 분자량
- 94.15 g/mol
- 단동위원소 질량
- 94.07825032
개요
1,4-Cyclohexadiene, 1-methyl- is a hydrocarbon.
이름 및 식별자
- 우선 이름
- 1-Methyl-1,4-cyclohexadiene
- IUPAC
- 1-methylcyclohexa-1,4-diene
- 현지명
- 1-메틸-1,4-사이클로헥사다이엔
- 영어명
- 1-Methyl-1,4-cyclohexadiene
- 분자식
- C7H10
- 분자량
- 94.15
이름 및 동의어
1-Methyl-1,4-cyclohexadiene1-Methylcyclohexa-1,4-diene2,5-Dihydrotoluene1,4-Cyclohexadiene, 1-methyl-C2C4JK5I2MEINECS 224-329-6NSC-74127UNII-C2C4JK5I2MAI3-28791DTXSID90195712NSC 74127RefChem:76191
이름 더 보기
1-메틸-1,4-사이클로헥사다이엔메틸-1,4-시크로헥사디엔1-메틸-1,4-사이클로헥사다이엔(1-METHYL-1,4-CYCLOHEXADIENE)2-methyl-1,4-cyclohexadiene1-methyl-1,4-cyclohexyldiene1-Methyl-1,4-cyclohexadiene>1-METHYL-1 4-CYCLOHEXADIENE 96+%1-Methyl-1,4-cyclohexadiene, tech. 90%
DTXCID30118203224-329-6QDXQAOGNBCOEQX-UHFFFAOYSA-N4313-57-9MFCD00001538NSC741271, 1-methyl-1-methyl1,4-cyclohexadiene
데이터베이스 식별자
- CAS
4313-57-9- PubChem CID
- 78006
- DTXSID
DTXSID90195712- ChEBI
CHEBI:229349- UNII
- C2C4JK5I2M
- EC Number
- 224-329-6
- Nikkaji
- J102.054D
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 107
실험 및 물리화학적 성질
SpringerMaterials PropertiesDensity
물리화학적 성질
- 녹는점
- -70 ℃ · <-70℃
- 끓는 점
- 114 · 114-115 °C(lit.)
- 밀도
- 0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.471(lit.)
- 인화점
- 51 °F · 51 °F
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- BRN
- 1560168 · 1560168
- InChI
- InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3
- InChIKey
- QDXQAOGNBCOEQX-UHFFFAOYSA-N
- SMILES
- C1(C)CC=CCC=1
- LogP
- 2.97 · 2.970 (est)
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information1,4-Cyclohexadiene, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
안전 데이터
- wgk
- 2
- ridadr
- UN 3295 3/PG 2
- HS 번호
- 2902190000
- risk_code
- 11-36
- hazard_code
- F,Xi
- safety_code
- 16-26
- 포장분류
- II
- 위험 등급
- 3
- 기존화학 물질
- KE-23689
화학 및 산업
응용 분야
용도1-Methyl-1,4-cyclohexadiene is reported to be produced by some Nodulosporium species along with other volatile organic compounds (VOCs).
상·하류 제품 정보
상류 원료
하류 제품
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