기본 정보
- 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
- 1,3-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 물성
- 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
Colorless liquid; [ICSC] Unpleasant odor; [Alfa Aesar MSDS]
COLOURLESS LIQUID.
물리화학적 성질
- 녹는점
- -89 °C · -89 °C
- 끓는 점
- 81 °C · 81 °C
- 밀도
- 0.84 g/cm3 · 0.84 g/cm3
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, 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
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 PotentialExplosive 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
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
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
Sore throat.
Redness.
Redness.
Toxicity DataLC50 (mouse) = 45,000 mg/m3/2hr
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H225
화학 및 산업
용도 및 제조
General Manufacturing Information1,3-Cyclohexadiene: ACTIVE
공급사50 곳
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]
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河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
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Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
上海嘉斯保气体有限公司13218776790 13218776790 · [email protected]
济南市万理气体有限公司13245484555 · [email protected]
时美拓特种气体（上海）有限公司15757158480 · [email protected]
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同创医药(苏州)有限公司0512-63263366 18912765016 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
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HBCChem, Inc.+1-510-219-6317 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
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杭州鼎燕化工有限公司0571-87157530-8003 18267553885 · [email protected]
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南通华祥医药科技有限公司+86-15716293042 15716293042 · [email protected]
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