2-Methyl-2-nitropropane (HCID 11672)

이름 및 식별자

우선 이름: 2-Methyl-2-nitropropane
IUPAC: 2-methyl-2-nitropropane
영어명: 2-Methyl-2-nitropropane
분자식: C4H9NO2
분자량: 103.12

이름 및 동의어

2-METHYL-2-NITROPROPANE594-70-72-NitroisobutanePropane, 2-methyl-2-nitro-Trimethylnitromethane2-Nitro-2-methylpropanetert-Nitrobutane1,1-Dimethyl-1-nitroethaneCCRIS 5044NSC 3651EINECS 209-851-4UNII-9DKH5L679Z

이름 더 보기

nitrotert-butaneNitro-tert.-butant-Nitrobutane (t-NB)tert-Nitrobutane,98+%Trimethylnitro-methanePF-07321332 Impurity 7

9DKH5L679ZNSC-3651(CH3)3CNO2DTXSID0060488NitrotertbutanetertNitrobutane2Nitroisobutane2Nitro2methylpropane

데이터베이스 식별자

CAS: 594-70-7
PubChem CID: 11672
DTXSID: DTXSID0060488
UNII: 9DKH5L679Z
EC Number: 209-851-4
Nikkaji: J471E

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 76.7

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitros, Aliphatic

SpringerMaterials PropertiesSchoenflies notation

LogP1.01

Physical DescriptionMelting point = 26.23 deg C; [ChemIDplus] Colorless liquid; [Acros Organics MSDS] Colorless low melting solid; mp = 27-31 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 24 °C · 24 °C
끓는 점: 126 · 126-127 °C (lit.)
밀도: 0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4(lit.)
인화점: 67 °F · 67 °F
저장 조건: Flammables area
물리적 상태: 결정질 분말, 결정 또는 플레이크
색상: 하얀색
수용성: 불용성
BRN: 1744184 · 1744184
Dielectric constant: 23.68 · 23.68
InChI: 1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3
InChIKey: AIMREYQYBFBEGQ-UHFFFAOYSA-N
SMILES: CC(C)(C)[N+]([O-])=O
NIST: 2 · Propane, 2-methyl-2-nitro-(594-70-7)
EPA: 2 · Propane, 2-methyl-2-nitro- (594-70-7)

화학적 성질

clear colourless liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (86.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryMay cause irritation, CNS depression, and cardiac disturbances; [Acros Organics MSDS] An irritant; [Alfa Aesar MSDS] See 2-Nitropropane, a primary hepatotoxin.

Hazard Classes and CategoriesFlam. Liq. 2 (86.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
HS 번호: 29049090
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36/37/39-37/39
포장분류: II
위험 등급: 4.1
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropane, 2-methyl-2-nitro-: INACTIVE

응용 분야

용도2-Methyl-2-nitropropane is a useful reagent in the preparation of various other chemical compounds including amines, alkynylnitrones, amides and nitriles.

일반 설명Photodissociation of 2-methyl-2-nitropropane at 193 and 248nm leads to the formation of OH fragment and electronically excited NO2. Hydrolysis reaction of 2-methyl-2-nitropropane in the presence of platinum-alumina catalyst yields N2O.