기본 정보
- 표준 SMILES
C1=CCNCC1- InChIKey
FTAHXMZRJCZXDL-UHFFFAOYSA-N- 분자식
- C5H9N
- 평균 분자량
- 83.13 g/mol
- 단동위원소 질량
- 83.07349929
개요
1,2,3,6-tetrahydropyridine appears as a colorless liquid. Insoluble in water. Floats on water. Vapors heavier than air. Used to make other chemicals.
이름 및 식별자
- 우선 이름
- 1,2,3,6-Tetrahydropyridine
- IUPAC
- 1,2,3,6-tetrahydropyridine
- 현지명
- 1,2,3,6-테트라하이드로피리딘
- 영어명
- 1,2,3,6-TETRAHYDROPYRIDINE
- 분자식
- C5H9N
- 분자량
- 83.13
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
694-05-3- PubChem CID
- 12750
- DTXSID
DTXSID0075289- ChEBI
CHEBI:47860- UNII
- 26RLS9D255
- EC Number
- 211-766-2
- Nikkaji
- J66.610F
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 57
실험 및 물리화학적 성질
Chemical Classes
Nitrogen Compounds -> Pyridines
Flammable agents - 2nd degree
Physical Description
1,2,3,6-tetrahydropyridine appears as a colorless liquid. Insoluble in water. Floats on water. Vapors heavier than air. Used to make other chemicals.
Colorless liquid; [CAMEO]
물리화학적 성질
- 녹는점
- 48 °C · −48 °C(lit.)
- 끓는 점
- 108 °C · 108 °C(lit.)
- 밀도
- 0.911 g/mL · 0.911 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.48(lit.)
- 인화점
- 61 °F · 61 °F
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 10.22 · 10.22±0.10(Predicted)
- 색상
- 흰색~연한 노란색 크림
- 안정성
- 감광성
- InChI
- 1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2
- InChIKey
- FTAHXMZRJCZXDL-UHFFFAOYSA-N
- SMILES
- C1CC=CCN1
- EPA
- 1 · Pyridine, 1,2,3,6-tetrahydro- (694-05-3)
화학적 성질
Clear colorless to pale yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (97.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Reactivity Profile
1,2,3,6-TETRAHYDROPYRIDINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
DOT Hazard Classification
1,2,3,6-Tetrahydropyridine
UN2410
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Hazard Classes and Categories
Flam. Liq. 2 (97.6%)
Flammable agents - 2nd degree
안전 및 보호
Accidental Release Measures
· 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
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
독성 정보
안전 데이터
- wgk
- 3
- ridadr
- UN 2410
- HS 번호
- 29333999
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- 포장분류
- II
- 위험 등급
- 3
- 위험 참고 사항
- Irritant/Highly Flammable
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
용도Organic intermediate.
일반 설명A colorless liquid. Density 0.913 g / cm3 and insoluble in water. Hence floats on water. Flash point near 110°F. Vapors heavier than air. Used to make other chemicals.
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