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1,3-Cyclohexadiene

HCID 11605
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인쇄 미리보기

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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
29797-09-9
표준 SMILES
C1=CCCC=C1
InChIKey
MGNZXYYWBUKAII-UHFFFAOYSA-N
분자식
C6H8
평균 분자량
80.13 g/mol
단동위원소 질량
80.06260026

개요

Cyclohexa-1,3-diene is a cyclohexadiene.

이름 및 식별자

우선 이름
1,3-Cyclohexadiene
IUPAC
cyclohexa-1,3-diene
영어명
cyclohexadiene
분자식
C6H8
분자량
80.13

이름 및 동의어

1,3-CYCLOHEXADIENECyclohexa-1,3-diene592-57-4JV5W0EG5BPCHEBI:37610DTXSID30862259RefChem:72543DTXCID00811052209-764-1CYCLOHEXADIENE1,2-dihydrobenzeneCyclohexadiene-1,3
이름 더 보기
MFCD0000153229797-09-9Dihydro-benzene; Cyclohexa-1,3-diene1165952-91-91,3-cyclohexanedieneEINECS 209-764-1UNII-JV5W0EG5BPcyclohexa-1

데이터베이스 식별자

CAS
29797-09-9、592-57-4
PubChem CID
11605
DTXSID
DTXSID30862259
ChEBI
CHEBI:37610
UNII
JV5W0EG5BP
EC Number
209-764-1、249-853-2
Nikkaji
J1.855.158F、J1.855.159D、J94.915I

물성

구조 계산 물성보충 중

XLogP
2.5
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
6
형식 전하
0
복잡도
66

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatics, Unsaturated
LogP2.47
DensityRelative density (water = 1): 0.84
SolubilitySolubility in water: none
Flash Point26 °C c.c.
Boiling Point81 °C
Melting Point-89 °C
Vapor DensityRelative vapor density (air = 1): 2.8 (calculated)
Vapor Pressure97.3 [mmHg]
Physical Description · 2건

Colorless liquid; [ICSC] Unpleasant odor; [Alfa Aesar MSDS]

COLOURLESS LIQUID.

물리화학적 성질

끓는 점
80 · 80-89 °C(Press: 752 Torr)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

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

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 1,3-Cyclohexadiene

1,3-Cyclohexadiene: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlammable. Above 26 °C explosive vapour/air mixtures may be formed.
Hazards SummaryMay form explosive peroxides on air exposure; A skin, eye, and respiratory tract irritant; [ICSC] Stabilized with BHT (CAS# 128-37-0); An irritant; [Alfa Aesar MSDS] See 1,4-Hexadiene.
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Chemical DangersThe substance can form explosive peroxides on exposure to air. Reacts with strong oxidants. This generates fire and explosion hazard.
Physical DangersThe vapour is heavier than air.
Packaging and LabellingAirtight.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Explosive Limits and Potential

화학 및 산업

용도 및 제조

General Manufacturing Information1,3-Cyclohexadiene: ACTIVE

관련 반응

144건
반응 기록 만들기
HRID 10152 반응식
HRID 10152반응물로uspto-grants-2006_08
HRID 22632 반응식
HRID 22632반응물로uspto-grants-2005_02
HRID 108222 반응식
HRID 108222반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 150671 반응식
HRID 150671반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 195166 반응식
HRID 195166반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 220238 반응식
HRID 220238반응물로uspto-grants-2012_06
HRID 237829 반응식
HRID 237829반응물로uspto-grants-2014_02
HRID 249646 반응식
HRID 249646반응물로uspto-grants-2011_01
1 / 18 페이지

화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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밀도
0.8409 g/cm3 · 0.8409 g/cm3
EPA
Cyclohexadiene (29797-09-9)
Explosive limits , vol% in air:

안전 및 보호

Fire FightingUse water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures · 4건

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Do NOT induce vomiting. Refer for medical attention .

Safe StorageFireproof. Separated from strong oxidants. Cool. Keep in the dark. Well closed. Store only if stabilized.
Spillage Disposal · 1건

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Eye PreventionWear safety spectacles.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 26 °C use a closed system, ventilation and explosion-proof electrical equipment.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation.
Effects of Short Term ExposureThe substance is irritating to the eyes, skin and respiratory tract.

독성 정보

Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour.
Signs and Symptoms · 3건

Sore throat.

Redness.

Redness.

Toxicity DataLC50 (mouse) = 45,000 mg/m3/2hr