Cycloheptatriene (HCID 11000)

개요

Cycloheptatriene appears as a colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.

이름 및 식별자

우선 이름: Cycloheptatriene
IUPAC: cyclohepta-1,3,5-triene
현지명: 1,3,5-시클로헵타트리
영어명: Cycloheptatriene
분자식: C7H8
분자량: 92.14

이름 및 동의어

Cycloheptatriene544-25-21,3,5-CYCLOHEPTATRIENETropilideneTropilidineTropilidenP58Q106NTFDTXSID5073909RefChem:129514DTXCID7041708208-866-3Cyclohepta-1,3,5-triene

이름 더 보기

1,3,5-사이클로헵타트리엔1,3,5-시클로헵타트리시클로헵타트리엔트로필리덴사이클로헵타트라이엔1,3,5-사이클로헵타트리엔(1,3,5-CYCLOHEPTATRIENE)CHT1,3,5-Cycloheptariene1，3，5-CycioheptatrieneTropiLTropilidinTropylidene

CycloheptatrienTropylidenZykloheptatrien1H-[7]annuleneMFCD00004146Cycloheptatriene; Tropiliden; TropilideneEINECS 208-866-3UN2603

데이터베이스 식별자

CAS: 544-25-2
PubChem CID: 11000
DTXSID: DTXSID5073909
ChEBI: CHEBI:37519
UNII: P58Q106NTF
EC Number: 208-866-3
Nikkaji: J14.160G、J2.695.164J

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 102

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Aliphatics, Unsaturated

Flammable agents - 3rd degree

SpringerMaterials PropertiesCoriolis coupling

LogP2.63

Vapor Pressure23.5 [mmHg]

Physical Description · 2건

Cycloheptatriene appears as a colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.

Colorless liquid; [CAMEO] Yellow liquid with an unpleasant odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -79.5 °C · -79.5°C
끓는 점: 116 · 116-117 °C (lit.)
밀도: 0.888 g/mL · 0.888 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.519(lit.)
인화점: 80 °F · 80 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 에탄올(약간 용해됨)
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
수용성: 불용성
BRN: 506066 · 506066
Henry's Law Constant: 2.2 · 2.2×10-3 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
Dielectric constant: 2.54 · 2.54
InChI: 1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
InChIKey: CHVJITGCYZJHLR-UHFFFAOYSA-N
SMILES: C1C=CC=CC=C1
LogP: 2.63 · 2.630
NIST: 1 · 1,3,5-Cycloheptatriene(544-25-2)
EPA: 1 · 1,3,5-Cycloheptatriene (544-25-2)

화학적 성질 · 1건

Cycloheptatriene is a clear yellow to brownish liquid. Insoluble in water and less dense than water. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. It is a ligand in organometallic chemistry and as a building block in organic synthesis. Cycloheptatriene is not aromatic, as reflected by the nonplanarity of the methylene bridge with respect to the other atoms.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P331, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1,3,5-Cycloheptatriene

1,3,5-Cycloheptatriene: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid Poison

Fire Hazards · 2건

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2건

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.

Hazards Summary · 1건

Causes convulsions, regional or general arteriolar constriction, and hemorrhage in oral lethal-dose studies of rats and mice; [RTECS] May polymerize; May be narcotic at high concentrations; [CAMEO] A skin and strong eye irritant; Highly toxic by ingestion; Toxic by skin absorption; An aspiration hazard by ingestion (may cause lung injury); [Alfa Aesar MSDS] See Cyclohexene.

DOT ID and Guide2603 131

안전 및 보호

Fire FightingExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2건

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Isolation and Evacuation · 2건

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Immediate precautionary measure

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

안전 데이터

wgk: 3
rtecs: GU3675000
ridadr: UN 2603
HS 번호: 29021990
risk_code: 11-25-36/37/38-65
hazard_code: F,T
safety_code: 16-26-36/37/39-45-62
포장분류: II
위험 등급: 3
F 고인화성물질: 10-23
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

UsesUsed to make other chemicals; [CAMEO]

응용 분야 · 2건

용도1,3,5-Cycloheptatriene functions as a ligand in organometallic chemistry and also as a building block in organic synthetic processes. 1,3,5-Cycloheptatriene is applied in cycloheptatrienyl transition zirconium complexes formation and in other organic complex formation processes.

일반 설명A colorless liquid. Insoluble in water and less dense than water. Flash point 35°F. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.