2-메틸-2-니트로프로판-1-올

2-Methyl-2-nitro-1-propanol

HCID 6442

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 76-39-1
표준 SMILES: CC(C)(CO)[N+](=O)[O-]
InChIKey: MVGJRISPEUZYAQ-UHFFFAOYSA-N
분자식: C4H9NO3
평균 분자량: 119.12 g/mol
단동위원소 질량: 119.05824315

이름 및 식별자

우선 이름: 2-Methyl-2-nitro-1-propanol
IUPAC: 2-methyl-2-nitropropan-1-ol
현지명: 2-메틸-2-니트로프로판-1-올
영어명: 2-Methyl-2-nitropropan-1-ol
분자식: C4H9NO3
분자량: 119.12

이름 및 동의어

2-METHYL-2-NITRO-1-PROPANOL76-39-12-Methyl-2-nitropropan-1-ol1-Propanol, 2-methyl-2-nitro-2-Methyl-2-nitropropanol2-Nitro-2-methylpropanol2-Nitro-2-methyl-1-propanolDTXSID8026436HSDB 5213EINECS 200-957-6RGG97AOX42NSC 17676

이름 더 보기

2-메틸-2-니트로프로판-1-올2-methyl-2-nitro-1-propano2-NITROISOBUTANOLMethylnitropropanolmethyl-2nitro-2propanol

AI3-02258NSC-17676DTXCID7064362-METHYL-2-NITROPROPAN-1-OL [HSDB]2Methyl2nitropropanol2Nitro2methylpropanol2Methyl2nitro1propanol2Methyl2nitropropan1ol

데이터베이스 식별자

CAS: 76-39-1
PubChem CID: 6442
DTXSID: DTXSID8026436
ChEMBL: CHEMBL3187854
UNII: RGG97AOX42
EC Number: 200-957-6
Nikkaji: J2.820G

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 93.9

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitros, Aliphatic

SpringerMaterials PropertiesFusion temperature

Vapor Pressure0.09 [mmHg]

Physical Description · 2건

Liquid

Colorless solid; [CHEMINFO]

물리화학적 성질

녹는점: 86 · 86-89 °C(lit.)
끓는 점: 94 · 94-95 °C10 mm Hg(lit.)
밀도: 1.0765 · 1.0765 (estimate)
굴절률: 1.4413 · 1.4413 (estimate)
산도 계수 (pKa): 13.79 · 13.79±0.10(Predicted)
InChI: InChI=1S/C4H9NO3/c1-4(2,3-6)5(7)8/h6H,3H2,1-2H3
InChIKey: MVGJRISPEUZYAQ-UHFFFAOYSA-N
SMILES: C(O)C(C)([N+]([O-])=O)C
NIST: 1 · 1-Propanol, 2-methyl-2-nitro-(76-39-1)
EPA: 1 · 1-Propanol, 2-methyl-2-nitro- (76-39-1)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Propanol, 2-methyl-2-nitro-

1-Propanol, 2-methyl-2-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 2-methyl-2-nitro- 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: 19-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20133

Hazards SummaryA severe eye irritant (rabbits); Causes ataxia, respiratory depression, and hematuria after oral lethal doses in rats; [RTECS] A strong eye irritant, based on animal studies; [eChemPortal: HPVIS] May cause irritation; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UB8575000
기존화학 물질: KE-24462
유해 물질 데이터: 76-39-1(Hazardous Substances Data)

화학 및 산업

용도 및 제조

UsesUsed in adhesives to bond tire cords; [Ullmann]

U.S. Production2023: 47,154,974 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

1-Propanol, 2-methyl-2-nitro-: ACTIVE

상·하류 제품 정보

하류 제품

공급사38 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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