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

이름 및 식별자

우선 이름: 1,1,3,3-Tetramethylguanidine
IUPAC: 1,1,3,3-tetramethylguanidine
현지명: 1,1,3,3-테트라메틸구아니딘
영어명: Tetramethylguanidine
분자식: C5H13N3
분자량: 115.18

이름 및 동의어

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

이름 더 보기

1,1,3,3-테트라메틸구아니딘1,1,3,3-테트라메틸구아니딘(1,1,3,3-TETRAMETHYLGUANIDINE)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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 30.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 75.7

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP0.84

Vapor Pressure2.13 [mmHg]

Physical Description · 2건

Liquid; Wet Solid

Colorless liquid; [Merck Index]

Ionization Efficiency · 6건

Positive

4.02

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

물리화학적 성질

녹는점: -30 °C · -30 °C
끓는 점: 162 · 162-163 °C (lit.)
밀도: 0.916 g/mL · 0.916 g/mL at 20 °C (lit.)
증기압: 0.2 mm · 0.2 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.469
인화점: 140 °F · 140 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 아세토니트릴(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 15.2 · 15.20±0.70(Predicted)
물리적 상태: 액체
색상: 150 · APHA: ≤150
수소이온지수(pH): 12.7 · 12.7 (10g/l, H2O, 25℃)
냄새: 약한 암모니아 냄새
폭발한계: 1 · 1.0-7.5%(V)
수용성: 혼용 가능
BRN: 969608 · 969608
Dielectric constant: 23.1 · 23.100000000000001
안정성: 안정적인. 타기 쉬운. 강한 산화제, 무기산 및 유기산, 이산화탄소와 호환되지 않습니다. 공기에 민감합니다.
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℃
NIST: N,N,N',N'-Tetramethylguanidine(80-70-6)
EPA: Guanidine, N,N,N',N'-tetramethyl- (80-70-6)

화학적 성질 · 1건

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℃).

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 4건

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%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 1
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
독성: LD50 orally in Rabbit: 835 mg/kg
HS 번호: 29252000
risk_code: 22-34-20/22-10
hazard_code: C
safety_code: 26-27-36/37/39-45-16
포장분류: II
위험 등급: 8
기존화학 물질: KE-33593
F 고인화성물질: 9-23
위험 참고 사항: Harmful/Corrosive
자연 발화 온도: 222 °C
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

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 · 2건

Petrochemical Manufacturing

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

응용 분야 · 1건

용도Tetramethylguanidine (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