3,5-Dimethylpyridine 分子结构式
HCID11565

3,5-Dimethylpyridine

C7H9N107.15 g/molCAS 591-22-0

IDENTITY

结构与身份

标准SMILES
Cc1cncc(C)c1
InChIKey
HWWYDZCSSYKIAD-UHFFFAOYSA-N
分子式
C7H9N
平均分子量
107.15 g/mol
单同位素质量
107.07349929

COMPUTED

结构计算性质

已同步
XLogP
1.8
极性表面积
12.9 Ų
氢键供体
0
氢键受体
1
可旋转键
0
重原子
8
形式电荷
0
复杂度
62

PROPERTIES

实验与物化性质

来源:PubChem
Vapor Pressure

1.74 [mmHg]

Physical Description

Liquid

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

Kovats Retention Index

957.7;947.4;963;963;964;952;954;974;957;965;972;987;951;951;917;924.4

980;970;978.9;980.5;963.5;961.4;966;967.7;155.01

1410;1415;1419;1391;1390;1414;1400;1405;1408;1408;1410

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H301+H331 (18.8%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation];H301 (71.8%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (28.2%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (48.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (51%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (32.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (67.8%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (10.7%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (96%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H330 (10.7%): Fatal if inhaled [Danger Acute toxicity, inhalation];H331 (24.2%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (63.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (77.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: Pyridine, 3,5-dimethyl-

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

Pyridine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10608

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

Hazards Summary

A skin and strong eye irritant; Toxic by ingestion and inhalation; Harmful by skin absorption; [Alfa Aesar MSDS] See Pyridine.

Hazard Classes and Categories

Flam. Liq. 3 (100%);Acute Tox. 3 (71.8%);Acute Tox. 4 (28.2%);Acute Tox. 3 (48.3%);Acute Tox. 4 (51%);Skin Corr. 1B (32.2%);Skin Irrit. 2 (67.8%);Skin Sens. 1B (10.7%);Eye Dam. 1 (96%);Acute Tox. 2 (10.7%);Acute Tox. 3 (24.2%);Acute Tox. 4 (63.8%);STOT SE 3 (77.2%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: Pyridine, 3,5-dimethyl-

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

Pyridine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 18-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10608

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

USES

用途与制造

来源:PubChem
U.S. Production

2023: <75,000 lb;2022: 75,000 - <500,000 lb;2021: 1,000,000 - <8,500,000 lb;2020: 500,000 - <1,000,000 lb

General Manufacturing Information

Pyridine, 3,5-dimethyl-: ACTIVE

ALIASES

名称与别名

共 46 条
3,5-DIMETHYLPYRIDINE3,5-Lutidine591-22-0Pyridine, 3,5-dimethyl-DTXSID50522546Q4YPZ045VNSC-60736DTXCID0030825RefChem:91617209-708-63,5-dimethyl-pyridineMFCD000064043,5-Dimethylpyridine; NSC 607363,5-LutdcineNicotine Impurity 6UNII-6Q4YPZ045V3,5 lutidineNSC60736EINECS 209-708-6NSC 60736

REACTIONS

参与反应

58
HRID 8740 反应方程式

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091213B2

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HRID 29090 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07420059B2

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HRID 35466 反应方程式

uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04766133

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HRID 84324 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846937B2

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HRID 84335 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846937B2

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HRID 84340 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846937B2

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HRID 84343 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846937B2

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HRID 84353 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846937B2

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