基本情報
- CAS
97-39-2- 標準SMILES
Cc1ccccc1N=C(N)Nc1ccccc1C- InChIKey
OPNUROKCUBTKLF-UHFFFAOYSA-N- 分子式
- C15H17N3
- 平均分子量
- 239.32 g/mol
- 単同位体質量
- 239.14224756
概要
1,2-bis(2-methylphenyl)guanidine is a member of toluenes.
名称と識別子
- 優先名称
- Di-o-tolylguanidine
- IUPAC
- 1,2-bis(2-methylphenyl)guanidine
- 現地名
- 1,3-ジ-o-トリルグアニジン
- 英語名
- Di-o-tolylguanidine
- 分子式
- C15H17N3
- 分子量
- 239.32
名称と別名
1,3-Di-o-tolylguanidine97-39-2Di-o-tolylguanidineDOTGVulkacit DOTGEveite DOTGNocceler DTVulkacite DOTG1,3-Bis(o-tolyl)guanidineSanceler DTSoxinol DTAkrochem DOTG
名称をさらに表示
1,3-ジ-o-トリルグアニジンエバイトDOTG1,2-ビス(o-トリル)グアニジン1,3-ジ(o-トリル)グアニジン1,3-ジ(2-メチルフェニル)グアニジン1,3-ビス(2-メチルフェニル)グアニジンノクセラーDTブルカシットDOTGジトリルグアニジンN,N'-ビス(2-メチルフェニル)グアニジン1,2-ビス(2-メチルフェニル)グアニジンジ-o-トリルグアニジン1,3-ビス(o-トリル)グアニジンN,N'-ジ-o-トリルグアニジン1,3-ジ-2-トリルグアニジン1,2-ジ-o-トリルグアニジンジoトリルグアニジン１，３ジｏトルイルグアニジン1,2-ジ-o-トリルグアニジン（DOTG）ジ‐オルト‐トリルグアニジンDTGNSC 473DOTG（DT）Nsc132023VANAX DOTGeveitedotgusafa-6598Anchor DOTG
Vulcafor DOTG1,3-DitolylguanidineDiorthotolylguanidineVulkacit dotg/C1,2-bis(2-methylphenyl)guanidineDOTG acceleratorN,N'-Di-o-tolylguanidineGuanidine, 1,3-di-o-tolyl-
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 50.4 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 287
実験および物理化学的性質
PolymersPlastics & Rubber -> Rubber Additives
Density1.10 @ 20 °C/4 °C
Color/Form
WHITE POWDER
CRYSTALS FROM DILUTED ALC
Solubility
SLIGHTLY SOL IN HOT WATER, ALC; VERY SOL IN ETHER; SOL IN CHLOROFORM
>35.9 [ug/mL] (The mean of the results at pH 7.4)
Melting Point179 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Wet Solid; Dry Powder
White solid; [Hawley] Grey or white powder; [MSDSonline]
物理化学的性質
- 融点
- 176 · 176-178 °C(lit.)
- 沸点
- 371.98 °C · 371.98°C (rough estimate)
- 比重(密度)
- 1.1 · 1.1000
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.2% (5 of 2121) of reports.
Danger
H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2121 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: Guanidine, N,N'-bis(2-methylphenyl)-
Guanidine, N,N'-bis(2-methylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Guanidine, N,N'-bis(2-methylphenyl)- 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)
REACH registered substance: 1,3-di-o-tolylguanidine (EC: 202-577-6)
Guanidine, N,N'-bis(2-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A selective ligand for the sigma site in the mammalian CNS--high parenteral doses in rodents cause behavioral effects; [Reference #1] Presumed to be irritating to eye mucous membranes; [HSDB] Oral LD50 (rat) = 500 mg/kg; Oral LDLo (unspecified mammal) = 120 mg/kg (Effects included somnolence, dyspnea, and cyanosis.) [ChemIDplus] An eye irritant; [eChemPortal: ERMA] May cause irritation; [MSDSonline]
Hazard Classes and Categories
Acute Tox. 3 (97.8%)
Acute toxicity (Oral) - Category 3
毒性情報
化学と産業
薬理情報
MeSH Pharmacological ClassificationDrugs used to prevent SEIZURES or reduce their severity.
用途と製造
Uses
Used as a rubber accelerator; [Hawley] Degraded during the vulcanization process, so consumers not likely to have significant exposure; [Reference #1]
BASIC RUBBER ACCELERATOR
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesPolymerization promoter
Industry UsesOther
Methods of ManufacturingDESULFURIZATION OF DI-ORTHO-TOLYLTHIOUREA WITH A LEAD COMPD IN THE PRESENCE OF AMMONIA.
General Manufacturing Information
Synthetic Rubber Manufacturing
Guanidine, N,N'-bis(2-methylphenyl)-: ACTIVE
応用分野
用途天然ゴム,合成ゴム用加硫促進剤.ジフェニルグアニジンよりも早期加硫しにくく,ゴムへの着色も少ない. [ 有機化合物辞典 (1985) ]
使用DTG is a selective ligand for the sigma-binding site. DTG has high binding affinity.
一般的な説明1,3-Di-o-tolylguanidine is a selective σ-receptor agonist. 1,3-Di-o-tolylguanidine is σ site ligand and its interaction with dopamine drugs were studied in Wistar rats and Albino Swiss mice.
調製方法
純化方法The guanidine crystallises from aqueous EtOH. The sulfate has m 253-254o(dec, H2O). [Beilstein 12 H 803, 12 II 445, 12 III 1871, 16 IV 1764]
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