Methyl carbazate (HCID 80519)

개요

carbadox metabolite

이름 및 식별자

우선 이름: Methyl carbazate
IUPAC: methyl N-aminocarbamate
현지명: 히드라진카르복시산 메틸
영어명: Methyl carbazate
분자식: C2H6N2O2
분자량: 90.08

이름 및 동의어

Methyl carbazate6294-89-9CarbomethoxyhydrazideMethylcarbazateHydrazinecarboxylic acid, methyl esterDTXSID3020835NSC-117090L5442J16QDTXCID90835RefChem:157813228-560-3Methyl hydrazinecarboxylate

이름 더 보기

히드라진카르복시산 메틸Carbazic acid methylhydrazinocarboxylateMethyl HhydrazinocarboxyLMethylcarbazate,98%Methyl Carbazate-d3Methyl Carbazate >

Methyl hydrazinocarboxylatemethoxycarbohydrazidemethyl N-aminocarbamateCarbazic acid, methyl esterMethyl hydrazinoformate(Methoxycarbonyl)hydrazineMethoxycarbonylhydrazinemethylhydrazinocarboxylate

데이터베이스 식별자

CAS: 6294-89-9
PubChem CID: 80519
DTXSID: DTXSID3020835
ChEMBL: CHEMBL3183780
UNII: 0L5442J16Q
EC Number: 228-560-3
Nikkaji: J25.571H

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 53.5

실험 및 물리화학적 성질

SpringerMaterials PropertiesCoriolis coupling

물리화학적 성질

녹는점: 70 · 70-73 °C (lit.)
끓는 점: 108 °C/12 · 108 °C/12 mmHg (lit.)
밀도: 1.3348 · 1.3348 (rough estimate)
굴절률: 1.4368 · 1.4368 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 578 g/l · 578g/l
산도 계수 (pKa): 10.52 · 10.52±0.20(Predicted)
물리적 상태: 크리스탈 분말,결정 또는 조각 결정
색상: 흰색에서 분홍색으로
수용성: 녹는
BRN: 1679395 · 1679395
InChI: 1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
InChIKey: WFJRIDQGVSJLLH-UHFFFAOYSA-N
SMILES: COC(=O)NN
NIST: Hydrazinecarboxylic acid, methyl ester(6294-89-9)
EPA: Hydrazinecarboxylic acid, methyl ester (6294-89-9)

화학적 성질

WHITE TO PINK CRYSTALLINE PLATELETS

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (55.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 88 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 31-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19357

Hazard Classes and CategoriesAcute Tox. 3 (55.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2811
HS 번호: 29280000
risk_code: 36/37/38-48-23/25-25
hazard_code: Xi,T
safety_code: 26-37/39-45-38-36/37/39-22-36/37
포장분류: III
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 히드라진카르복시산 메틸 및 이를 25% 이상 함유한 혼합물
유해화학물질 필터링: 2018-1-827(신규화학물질)

화학 및 산업

용도 및 제조

General Manufacturing InformationHydrazinecarboxylic acid, methyl ester: ACTIVE

응용 분야

용도Methyl carbazate was used in the preparation of methyl 3-(4-methyl-benzyl-idene)carbazate. It was also used in the synthesis of imidazo[1,5-d][1,2,4]triazines. It is used as pharmaceutical intermediate.