N-甲基吡咯

1-Methylpyrrole

HCID 7304CAS 27417-39-6

基本信息

标准SMILES
Cn1cccc1
InChIKey
OXHNLMTVIGZXSG-UHFFFAOYSA-N
分子式
C5H7N
平均分子量
81.12 g/mol
单同位素质量
81.05784922

概述

1-Methylpyrrole is a member of pyrroles.

名称与标识

首选名称
1-Methylpyrrole
IUPAC
1-methylpyrrole
中文名
N-甲基吡咯
英文名
1-Methylpyrrole
分子式
C5H7N
分子量
81.12

名称与别名

1-Methylpyrrole1-Methyl-1H-pyrroleN-METHYLPYRROLE96-54-81H-Pyrrole, 1-methyl-Pyrrole, 1-methyl-DTXSID3052648NG5GPN98ZGNSC-65440DTXCID4031221RefChem:76411202-513-7
展开更多名称
N-甲基吡咯N-甲基呲咯1-甲基吡咯1-甲基-1H-吡咯1-甲基吡咯,99%N-甲基吡咯,99%N-甲基吡咯 100GN-甲基吡咯1-甲基吡咯(N-甲基吡咯)N-甲基吡咯,1-甲基-1H-吡咯1H-pyrrole,1-methyl-1-methyl-pyrrolpyrrole,1-methyl-
N-Methyl pyrroleMethylpyrroleN-Methylpyrrol1-methylpyrrolMFCD000053451257247-93-0CCRIS 2934EINECS 202-513-7

数据库标识

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

性质

结构计算性质

XLogP
1.2
极性表面积
4.9 Ų
氢键供体
0
氢键受体
0
可旋转键
0
重原子
6

实验与物化性质

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

1.21

1.15

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

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]

物理化学性质

熔点
-57 °C · -57 °C (lit.)
沸点
112 · 112-113 °C (lit.)
密度
0.914 g/mL · 0.914 g/mL at 25 °C (lit.)
蒸气密度
2.8 · 2.8 (vs air)
蒸气压
15 mm · 15 mm Hg ( 20.2 °C)
折射率
20 · n20/D 1.489

化学性质

刺激性易燃液体。熔点 -57℃,沸点 112-113℃,相对密度 0.914。折光率 1.4870,高度易燃,闪点 15℃。

安全与法规

GHS分类

GHS Classification · 4 条

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.

危害信息

Regulatory Information · 3 条

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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 · 1 条

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%)

安全与防护

Protective Action Criteria (PAC) · 3 条

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

毒理信息

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

安全数据

wgk
3
tsca
TSCA listed
毒性
LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 400 mg/kg
RTECS号
UX9640000
包装类别
II
危险等级
3

化学与工业

药理信息

Cellular LocationsCytoplasm

用途与制造

UsesUsed in organic synthesis; [Hawley]
General Manufacturing Information1H-Pyrrole, 1-methyl-: ACTIVE

应用领域

用途痛灭定的中间体,也可作为染料稳定剂、防腐剂。

用途可用作有机合成原料,广泛用作医药中间体和有机溶剂

试剂价格

M0414 · 25ML
1-甲基吡咯1-Methylpyrrole — 270元
M0414 · 100ML
N-甲基吡咯1-Methylpyrrole — 990元

供应商50 家

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]

相关反应

139 条

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