헥사메틸포스포릭트리아미드

헥사메틸포스포르아미드 · 헥사메틸포스포르아마이드(헥사메틸포스포르아미드) · 헥사메틸포스포릭트리아미드 · 헥사메틸포스포릭트라이아마이드 · 헥사메틸포스포라마이드 · HMPA · N,N,N,N,N,N-Hexamethylphosphoric triamide · HEXAMETHYLPHOSPHORIC TRIAMIDE

https://huagongshe.com/ko/chemical/12679

식별자 및 물리적 특성

CAS No.	630-31-9
분자식	C6H18N3OP
평균 분자량	179.2 g/mol
단동위원소 질량	179.11874883 g/mol
SMILES	CN(C)P(=O)(N(C)C)N(C)C
InChIKey	GNOIPBMMFNIUFM-UHFFFAOYSA-N
PubChem CID	12679
ChEMBL	CHEMBL3187047
ChEBI	CHEBI:24565
EC No.	211-653-8
DTXSID	DTXSID6020694
현지명	헥사메틸포스포릭트리아미드

화학 및 물리적 성질

XLogP	0.3
극성 표면적	26.8
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	3
무거운 원자 수	11
형식 전하	0
복잡도	139
물질 분류	Hazardous Air Pollutants (HAPs)Other Classes -> Phosphorus CompoundsCarcinogens
SpringerMaterials Properties	Chemical shift
LogP(분배 계수)	0.09
냄새	AROMATIC ODORSPICY ODORAromatic or mild, amine-like odor.매운 냄새(임계값 데이터 없음)
밀도	1.024 at 77 °F (NTP, 1992) - Denser than waterwill sink1.03 @ 20 °CRelative density (water = 1): 1.031.03 @ 20°C1.03 g/mL at 25 °C (lit.)
Color/Form	COLORLESS, MOBILE LIQUIDClear, colorless liquid [Note: A solid below 43 degrees F].
용해도	greater than or equal to 100 mg/mL at 64 °F (NTP, 1992)MISCIBLE WITH WATER & WITH MOST ORG LIQIMMISCIBLE WITH HIGH-BOILING SATURATED HYDROCARBONSSolubility in water: very good클로로포름, 메탄올(약간)에 용해됨
인화점	222 °F (NTP, 1992)NIOSH REL = lowest feasible conc. 222 °F105 °C220 °F
끓는 점	451 °F at 760 mmHg (NTP, 1992)233 °C @ 760 MM HG232 °C232.5 °C @760 [mm Hg]230-232 °C/740 mmHg (lit.)
Decomposition	When heated to decomposition it emits very toxic fume of /phosphine, phosphorus oxides and nitrogen oxides/.
녹는점	41 to 45 °F (NTP, 1992)FP: 5-7 °C7.2 °C43 °F7 °C (lit.)
증기 밀도	6.18 (NTP, 1992) - Heavier than airwill sink (Relative to Air)6.18 (Air= 1)Relative vapor density (air = 1): 6.186.18 (vs air)
증기압	0.07 mm Hg ( 25 °C)
굴절률	n20/D 1.459(lit.)
저장 조건	Inert atmosphere,Room Temperature
물리적 상태	액체
pKa(산도 계수)	4.69±0.70(Predicted)
색상	무색~담황색 액체
용해도	혼용 가능
비열	Cp(liquid): 1.79 J/(g·K), at 25℃
Merck	14,4725
BRN	1099903
헨리 상수	4.9×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
유전율	30.0(20℃)
안정성	안정적인. 강산, 강산화제와 호환되지 않습니다.
InChI	1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
InChIKey	GNOIPBMMFNIUFM-UHFFFAOYSA-N
SMILES	CN(C)P(=O)(N(C)C)N(C)C
NIST	N,N,N',N',N",N'-Hexamethylphosphorotriamide(680-31-9)
EPA	Hexamethylphosphoramide (680-31-9)

화학적 성질

colourless or light amber liquid with an aromatic spicy odour

안전 및 규제

GHS 분류	DangerH340: May cause genetic defects [Danger Germ cell mutagenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity]
규제 정보	Chemical: Phosphoric triamide, hexamethyl-Hazard Traits - CarcinogenicityGenotoxicityNephrotoxicity and Other Toxicity to the Urinary SystemReproductive ToxicityRespiratory ToxicityS - indicates a substance that is identified in a final Significant New Use Rule.Hexamethylphosphoramide: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
기타 안전 정보	IMAP assessments - CMR chemicals not registered under REACH: Human health tier II assessment
운송 라벨(DOT)	Poison
화재 위험	This chemical is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
건강 유해성	Excerpt from NIOSH Pocket Guide for Hexamethyl phosphoramide:
유해성 요약	Hexamethylphosphoramide is no longer used in large quantities in the United States. No information is available on the acute (short-term), chronic (long-term), reproductive, developmental, or carcinogenic effects of hexamethylphosphoramide in humans. Acute animal studies have reported effects on the kidneys and lungs from oral exposure to hexamethylphosphoramide, while chronic oral studies in animals have reported an increased incidence of lung disease. An increased incidence of nasal tumors from inhalation exposure to hexamethylphosphoramide was reported in rats. EPA has not classified hexamethylphosphoramide for carcinogenicityhowever, the International Agency for Research on Cancer (IARC) has classified it as a Group 2B, possible human carcinogen.A TLV is not recommended because the absence of data. Rats suffer kidney injury and death after repeated inhalation exposures. HMPA is carcinogenic in animals. The TLV Basis is upper respiratory tract cancer. [ACGIH] May have effects on the lungs, kidneys, and bone marrow

용도

Hexamethylphosphoramide is a dipolar co-solvent and an effective additive used in reactions like reduction of halides, deoxygenation of sulfones, halide olefin couplings and cleavage of carbon-sulfur bond.

일반 설명

Clear colorless to light amber liquid with a spicy odor.