uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091213B2
查看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
- 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
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
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
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
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
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
REACTIONS
参与反应
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