O-TOLYL-CARBAMICACIDTERT-BUTYL에스테르

tert-butyl N-(2-methylphenyl)carbamate

HCID 9815662CAS 74965-31-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccccc1NC(=O)OC(C)(C)C
InChIKey: UMDAFUNCFQYMDP-UHFFFAOYSA-N
분자식: C12H17NO2
평균 분자량: 207.27 g/mol
단동위원소 질량: 207.12592878

이름 및 식별자

우선 이름: tert-butyl N-(2-methylphenyl)carbamate
IUPAC: tert-butyl N-(2-methylphenyl)carbamate
현지명: O-TOLYL-CARBAMICACIDTERT-BUTYL에스테르
영어명: O-TOLYL-CARBAMIC ACID TERT-BUTYL ESTER
분자식: C12H17NO2
분자량: 207.27

이름 및 동의어

Tert-butyl N-(2-methylphenyl)carbamateRefChem:895756800-205-274965-31-4tert-butyl o-tolylcarbamateo-Tolyl-carbamic acid tert-butyl esterN-(tert-Butoxycarbonyl)-2-methylanilineMFCD09031443tert-Butyl (2-methylphenyl)carbamateSCHEMBL1524995SCHEMBL1534089tert-butyl N-(o-tolyl)carbamate

이름 더 보기

O-TOLYL-CARBAMICACIDTERT-BUTYL에스테르O-TOLYL-CARBAMIC ACID TERT-BUTYL ESTE(2-Methylphenyl)carbaMic Acid 1,1-DiMethylethyl EsterCarbamic acid, N-(2-methylphenyl)-, 1,1-dimethylethyl esterCarbamic acid, (2-methylphenyl)-, 1,1-dimethylethyl ester (9CI)

DTXSID20431175FD7306AKOS014476257SB77108SS-4564AC-20606DB-074913CS-0315615

데이터베이스 식별자

CAS: 74965-31-4
PubChem CID: 9815662
DTXSID: DTXSID20431175
EC Number: 800-205-2
Nikkaji: J416.448B

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 220

물리화학적 성질

녹는점: 82 · 82-83 °C
끓는 점: 250.4 · 250.4±19.0 °C(Predicted)
밀도: 1.064 · 1.064±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: soluble in Acetone, Dichloromethane
물리적 상태: solid
산도 계수 (pKa): 13.87 · 13.87±0.70(Predicted)
InChI: 1S/C9H5BrClN/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H
InChIKey: ZXSUGMMMZOMZTD-UHFFFAOYSA-N
SMILES: ClC1=NC(C(C=C1)=CC=C2)=C2Br

화학적 성질

Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2924190090
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

공급사23 곳

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