1,3-Cyclohexadiene

HCID 11605CAS 29797-09-9

基本情報

標準SMILES
C1=CCCC=C1
InChIKey
MGNZXYYWBUKAII-UHFFFAOYSA-N
分子式
C6H8
平均分子量
80.13 g/mol
単同位体質量
80.06260026

概要

Cyclohexa-1,3-diene is a cyclohexadiene.

名称と識別子

優先名称
1,3-Cyclohexadiene
IUPAC
cyclohexa-1,3-diene
英語名
1,3-Cyclohexadiene
分子式
C6H8
分子量
80.13

名称と別名

1,3-CYCLOHEXADIENECyclohexa-1,3-diene592-57-4JV5W0EG5BPCHEBI:37610DTXSID30862259RefChem:72543DTXCID00811052209-764-1CYCLOHEXADIENE1,2-dihydrobenzeneCyclohexadiene-1,3
名称をさらに表示
MFCD0000153229797-09-9Dihydro-benzene; Cyclohexa-1,3-diene1165952-91-91,3-cyclohexanedieneEINECS 209-764-1UNII-JV5W0EG5BPcyclohexa-1

データベース識別子

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

物性

構造計算による物性

XLogP
2.5
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
0
重原子数
6

実験および物理化学的性質

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

物理化学的性質

融点
-89 °C · -89 °C
沸点
81 °C · 81 °C
比重(密度)
0.84 g/cm3 · 0.84 g/cm3

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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.

安全と保護具

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

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 · 1 件

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.

毒性情報

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

Sore throat.

Redness.

Redness.

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

安全データ

注意喚起語
危険
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H225

化学と産業

用途と製造

General Manufacturing Information1,3-Cyclohexadiene: ACTIVE

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
江西核研院新材料有限公司18901398682 18901398682 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

関連反応

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