1-메틸피롤

1-Methylpyrrole

HCID 7304CAS 27417-39-6

기본 정보

표준 SMILES
Cn1cccc1
InChIKey
OXHNLMTVIGZXSG-UHFFFAOYSA-N
분자식
C5H7N
평균 분자량
81.12 g/mol
단동위원소 질량
81.05784922

개요

1-Methylpyrrole is a member of pyrroles.

이름 및 식별자

우선 이름
1-Methylpyrrole
IUPAC
1-methylpyrrole
현지명
1-메틸피롤
영어명
1-Methylpyrrole
분자식
C5H7N
분자량
81.12

이름 및 동의어

1-Methylpyrrole1-Methyl-1H-pyrroleN-METHYLPYRROLE96-54-81H-Pyrrole, 1-methyl-Pyrrole, 1-methyl-DTXSID3052648NG5GPN98ZGNSC-65440DTXCID4031221RefChem:76411202-513-7
이름 더 보기
1-메틸피롤N-메틸피롤1H-pyrrole,1-methyl-1-methyl-pyrrolpyrrole,1-methyl-
N-Methyl pyrroleMethylpyrroleN-Methylpyrrol1-methylpyrrolMFCD000053451257247-93-0CCRIS 2934EINECS 202-513-7

데이터베이스 식별자

CAS
27417-39-6、96-54-8
PubChem CID
7304
DTXSID
DTXSID3052648
ChEMBL
CHEMBL1234459
ChEBI
CHEBI:89012
UNII
NG5GPN98ZG
EC Number
202-513-7
Nikkaji
J2.431.884B、J40.162E

물성

구조 계산 물성

XLogP
1.2
극성 표면적
4.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
0
무거운 원자 수
6

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyrroles
SpringerMaterials PropertiesSchoenflies notation
LogP · 2건

1.21

1.15

Density0.9145 @ 15°C
Flash Point16 °C
Boiling Point · 3건

The Guide in the Emergency Response Guidebook is for "Flammable liquid, n.o.s." 112-113 °C

112.00 to 113.00 °C. @ 760.00 mm Hg

112.81 °C @760 [mm Hg]

물리화학적 성질

녹는점
-57 °C · -57 °C (lit.)
끓는 점
112 · 112-113 °C (lit.)
밀도
0.914 g/mL · 0.914 g/mL at 25 °C (lit.)
증기 밀도
2.8 · 2.8 (vs air)
증기압
15 mm · 15 mm Hg ( 20.2 °C)
굴절률
20 · n20/D 1.489

화학적 성질

clear yellow to light brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (89.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1523 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1H-Pyrrole, 1-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Hazards Summary · 1건

Flammable liquid; [Hawley] A skin irritant; [eChemPortal: ERMA] An irritant; [MSDSonline] Harmful if swallowed; LD50 (rats) = 1400 mg/kg; Rats inhaling saturated concentration at room temperature die after 1 hour; Severe mucosal irritation and narcosis were observed; [Ullmann]

Hazard Classes and CategoriesAcute Tox. 4 (89.9%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC50 (rat) = >5.6 mg/l/4H;

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
UX9640000
ridadr
UN 1993 3/PG 2
독성
LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 400 mg/kg
HS 번호
29339990

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

UsesUsed in organic synthesis; [Hawley]
General Manufacturing Information1H-Pyrrole, 1-methyl-: ACTIVE
응용 분야 · 2건

개요1-Methylpyrrole is a fundamental structural unit employed in synthesis, belonging to the class of pyrrole compounds. It can be used as a monomer for preparing thin-film polymers and is utilised in electrochemical research. It also participates in photoaddition and substitution reactions, and is used to prepare hybrid compounds such as 1-methyl-2-(1,2-diphenylethyl)pyrrole.

용도Organic synthesis.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

관련 반응

139건

연결된 노트

불러오는 중…