1,1,3,3-Tetramethylguanidine (HCID 66460)

名称と識別子

優先名称: 1,1,3,3-Tetramethylguanidine
IUPAC: 1,1,3,3-tetramethylguanidine
現地名: 1,1,3,3-テトラメチルグアニジン
英語名: Tetramethylguanidine
分子式: C5H13N3
分子量: 115.18

名称と別名

1,1,3,3-Tetramethylguanidine80-70-6N,N,N',N'-TetramethylguanidineGuanidine, N,N,N',N'-tetramethyl-VEZ101E7ZUNSC-148309DTXSID2058835RefChem:70941DTXCID7048168201-302-7TetramethylguanidineMFCD00008323

名称をさらに表示

1,1,3,3-テトラメチルグアニジンα,α-ビス(ジメチルアミノ)メタンイミンN,N,N',N'-テトラメチル-α-イミノメタンジアミンN,N,N',N'-テトラメチルグアニジンビス(ジメチルアミノ)メタンイミンテトラメチルグアニジン1,1,3,3‐テトラメチルグアニジンN,N-1,1,3,3-テトラメチルグアニジンN-[(2-クロロ-5-チアゾリル)メチル]-N′′-メチルグアニジンN'-[(2-クロロ-1,3-チアゾール-5-イル)メチル]-N-メチルグアニジン1-(2-クロロチアゾール-5-イルメチル)-3-メチルグアニジン1-メチル-3-(2-クロロ-5-チアゾリルメチル)グアニジンN,N,N′,N′-テトラメチルグアニジンN,N,N′,N′-テトラメチル-α-イミノメタンジアミンTMGTETRAMETHYL GUANIDINEN,N’-Tetramethylguanidine1,1,3,3-Tetramethyl Guanidine (TMG)1,1,3,3-Tetramethylguanidin1,1,3,3-Tetramethylguayyniaine

Guanidine, 1,1,3,3-tetramethyl-1,1,3,3-TETRAMETHYL GUANIDINEN,N-1,1,3,3-TETRAMETHYLGUANIDINEUNII-VEZ101E7ZUCCRIS 6689tetramethyguanidineTetramethlguanidineEINECS 201-302-7

データベース識別子

CAS: 80-70-6
PubChem CID: 66460
DTXSID: DTXSID2058835
UNII: VEZ101E7ZU
EC Number: 201-302-7
Nikkaji: J56.149E

物性

構造計算による物性

XLogP: 0.4
極性表面積: 30.3 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 75.7

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP0.84

Vapor Pressure2.13 [mmHg]

Physical Description · 2 件

Liquid; Wet Solid

Colorless liquid; [Merck Index]

Ionization Efficiency · 6 件

Positive

4.02

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

物理化学的性質

融点: -30 °C · -30 °C
沸点: 162 · 162-163 °C (lit.)
比重(密度): 0.916 g/mL · 0.916 g/mL at 20 °C (lit.)
蒸気圧: 0.2 mm · 0.2 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.469
闪点: 140 °F · 140 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
酸解離定数(Pka): 15.2 · 15.20±0.70(Predicted)
外見: 液体
色: 150 · APHA: ≤150
PH: 12.7 · 12.7 (10g/l, H2O, 25℃)
臭い (Odor): 穏やかなアンモニア臭
爆発限界(explosive limit): 1 · 1.0-7.5%(V)
水溶解度: 混和性
BRN: 969608 · 969608
Dielectric constant: 23.1 · 23.100000000000001
安定性: 安定。可燃性。強力な酸化剤、無機および有機酸、二酸化炭素とは相容れない。空気に敏感。
InChI: 1S/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H3
InChIKey: KYVBNYUBXIEUFW-UHFFFAOYSA-N
SMILES: CN(C)C(=N)N(C)C
LogP: -0.49 at · -0.49 at 20℃
CAS データベース: 80 · 80-70-6(CAS DataBase Reference)
NISTの化学物質情報: N,N,N',N'-Tetramethylguanidine(80-70-6)
EPAの化学物質情報: Guanidine, N,N,N',N'-tetramethyl- (80-70-6)

化学的性質 · 1 件

化学的特性N,N,N',N' -Tetramethylguanidine (TMG) [80-70-6], C5H13N3, Mr 115.18, is a stable, unusually strong base, pKa 13.6 (25 ℃), with a free imino group. It is a colorless to light-yellow liquid, miscible with water and common organic solvents: 0.92 g/cm3 (25 ℃), bp 160 ℃, vapor pressure 0.03 kPa (25℃).

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1.3% (5 of 385) of reports.

Danger

H226 (95.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 385 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Guanidine, N,N,N',N'-tetramethyl-

Guanidine, N,N,N',N'-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Guanidine, N,N,N',N'-tetramethyl- 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: 20-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17010

1,1,3,3-tetramethylguanidine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCorrosive; [Merck Index] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; [Alfa Aesar MSDS] See Guanidine.

Hazard Classes and CategoriesFlam. Liq. 3 (95.6%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 9-23
wgk: 1
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
毒性: LD50 orally in Rabbit: 835 mg/kg
hs_code: 29252000
risk_code: 22-34-20/22-10
化審法: (2)-1774
消防法: 危-4-2-III
hazard_code: C
hazard_note: Harmful/Corrosive
safety_code: 26-27-36/37/39-45-16
hazard_class: 8
packing_group: II
自然発火温度: 222 °C
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

UsesUsed as a reagent in synthetic organic chemistry; [Merck Index]

U.S. Production2023: 124,584 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesCatalyst

General Manufacturing Information · 2 件

Petrochemical Manufacturing

Guanidine, N,N,N',N'-tetramethyl-: ACTIVE

応用分野 · 1 件

使用Tetramethylguanidine (TMG) is used as polyurethane foam catalyst, as accelerator for the syntheses of polysulfured rubber, as a strong base in the photochemical (e.g. couplers) and in the pharmaceutical (e.g. steroids) industries. Product Data Sheet