기본 정보
- 표준 SMILES
NNC(=O)OCc1ccccc1- InChIKey
RXUBZLMIGSAPEJ-UHFFFAOYSA-N- 분자식
- C8H10N2O2
- 평균 분자량
- 166.18 g/mol
- 단동위원소 질량
- 166.07422757
이름 및 식별자
- 우선 이름
- Benzyl carbazate
- IUPAC
- benzyl N-aminocarbamate
- 영어명
- Carbobenzoxyhydrazide
- 분자식
- C8H10N2O2
- 분자량
- 166.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5331-43-1- PubChem CID
- 79242
- DTXSID
DTXSID1047447- ChEMBL
CHEMBL3187376- UNII
- H7GM2H55TC
- EC Number
- 226-230-3
- Nikkaji
- J298.013D
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 64.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 144
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 65 · 65-68 °C (lit.)
- 끓는 점
- 294.38 °C · 294.38°C (rough estimate)
- 밀도
- 1.2265 · 1.2265 (rough estimate)
- 굴절률
- 1.618 · 1.6180 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- DMSO및메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.56 · 10.56±0.20(Predicted)
- 색상
- 베이지색
- 수용성
- 물(약간 용해됨), 메탄올 및 DMSO에 용해됩니다.
- BRN
- 1952982 · 1952982
- 주요 응용
- 펩타이드 합성
- InChI
- 1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
- InChIKey
- RXUBZLMIGSAPEJ-UHFFFAOYSA-N
- SMILES
- NNC(=O)OCc1ccccc1
- NIST
- Hydrazinecarboxylic acid, phenylmethyl ester(5331-43-1)
- EPA
- Hydrazinecarboxylic acid, phenylmethyl ester (5331-43-1)
화학적 성질
LIGHT BEIGE SHINY FLAKES
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (44.2%): Harmful if swallowed [Warning Acute toxicity, oral];H318 (57%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (43%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H372 (43%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
P260, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P305+P354+P338, P317, P319, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 86 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Hydrazinecarboxylic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydrazinecarboxylic acid, phenylmethyl ester 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)
규제 정보
Regulatory Information
Hydrazinecarboxylic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydrazinecarboxylic acid, phenylmethyl ester 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)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MV1724950
- HS 번호
- 29280000
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Dam. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Hydrazinecarboxylic acid, phenylmethyl ester: ACTIVE
응용 분야
용도Benzyl Carbazate has been shown to prevent the occurrence of oligonucleosome-sized DNA fragmentation in the cell-free system.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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