tert-butyl N-(4-chlorophenyl)carbamate

HCID 546372CAS 18437-66-6

기본 정보

표준 SMILES
CC(C)(C)OC(=O)Nc1ccc(Cl)cc1
InChIKey
VFEHOBXXLPHSOI-UHFFFAOYSA-N
분자식
C11H14ClNO2
평균 분자량
227.69 g/mol
단동위원소 질량
227.0713064

이름 및 식별자

우선 이름
tert-butyl N-(4-chlorophenyl)carbamate
IUPAC
tert-butyl N-(4-chlorophenyl)carbamate
영어명
4-Chloro-(N-Boc)aniline 97
분자식
C11H14ClNO2
분자량
227.69

이름 및 동의어

tert-butyl N-(4-chlorophenyl)carbamateRefChem:896130674-120-218437-66-6tert-Butyl (4-chlorophenyl)carbamaten-boc-4-chloroanilinetert-Butyl 4-chlorophenylcarbamate4-Chloro-(N-Boc)anilineMFCD00816772N-tert-Butoxycarbonyl-4-chloroanilinetert-butyl4-chlorophenylcarbamatetert-Butyl(4-chlorophenyl)carbamate
이름 더 보기
4-Chloro-(NN-Boc)anilineert-butylN-(4-chlorophenyl)carbamate
4-Chloro-N-Boc-anilineMaybridge1_008229SCHEMBL1972544-Chloro-(N-Boc)Aniline 97HMS564O01DTXSID90338102tert-butyl-4-chlorophenylcarbamate4-Chloro-(N-Boc)aniline, 97%

데이터베이스 식별자

CAS
18437-66-6
PubChem CID
546372
DTXSID
DTXSID90338102
EC Number
674-120-2
Nikkaji
J432.129D

물성

구조 계산 물성

XLogP
3.6
극성 표면적
38.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
15

물리화학적 성질

녹는점
102 · 102-106 °C (lit.)
끓는 점
265.2 · 265.2±23.0 °C(Predicted)
밀도
1.195 · 1.195±0.06 g/cm3(Predicted)
저장 조건
Store at room temperature
물리적 상태
결정성 분말
산도 계수 (pKa)
12.99 · 12.99±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;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 InformationStatus: Active Update: 29-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27231
Hazard Classes and CategoriesAcute Tox. 4 (50%);Acute Tox. 4 (50%);Skin Irrit. 2 (50%);Eye Irrit. 2 (50%);Acute Tox. 4 (50%);STOT SE 3 (50%)

규제 정보

Regulatory InformationStatus: Active Update: 29-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27231

안전 데이터

wgk
3
HS 번호
29242998
safety_code
22-24/25
스토리지 클래스
13 - Non Combustible Solids

화학 및 산업

응용 분야

용도4-Chloro-(N-Boc)aniline may be used in the synthesis of:4-[[9–chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]-amino] benzoic acid(MLN8054)5-(4-aminophenyl)-3H-1,2-dithiol-3-thione(E)(4(prop-1-en-1-yl)phenyl)carbamate

공급사50 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

관련 반응

19건

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