CARBAMICACID,(6-클로로-4-아이오도-3-피리디닐)-,1,1-디메틸에틸에스테르
tert-Butyl (6-chloro-4-iodopyridin-3-yl)carbamate
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기본 정보
- CAS
400777-00-6- 표준 SMILES
CC(C)(C)OC(=O)Nc1cnc(Cl)cc1I- InChIKey
YCBOUHLCYYKTFG-UHFFFAOYSA-N- 분자식
- C10H12ClIN2O2
- 평균 분자량
- 354.57 g/mol
- 단동위원소 질량
- 353.9632
이름 및 식별자
- 우선 이름
- tert-Butyl (6-chloro-4-iodopyridin-3-yl)carbamate
- IUPAC
- tert-butyl N-(6-chloro-4-iodo-3-pyridinyl)carbamate
- 현지명
- CARBAMICACID,(6-클로로-4-아이오도-3-피리디닐)-,1,1-디메틸에틸에스테르
- 영어명
- CARBAMIC ACID, (6-CHLORO-4-IODO-3-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
- 분자식
- C10H12ClIN2O2
- 분자량
- 354.57
이름 및 동의어
400777-00-6tert-Butyl (6-chloro-4-iodopyridin-3-yl)carbamateDTXSID40697039RefChem:383074DTXCID10647788894-561-6TERT-BUTYL N-(6-CHLORO-4-IODOPYRIDIN-3-YL)CARBAMATEMFCD11977418Carbamic acid, (6-chloro-4-iodo-3-pyridinyl)-, 1,1-dimethylethyl esterTERT-BUTYL 6-CHLORO-4-IODOPYRIDIN-3-YLCARBAMATEtert-butyl(6-chloro-4-iodopyridin-3-yl)carbamateAKOS016005339
이름 더 보기
CARBAMICACID,(6-클로로-4-아이오도-3-피리디닐)-,1,1-디메틸에틸에스테르-(6-chloro-4-iodo-3-pyridinyl)-, 1,1-diMethylethyl ester1,1-DimethylethylN-(6-chloro-4-iodo-3-pyridinyl)carbamateN-(6-chloro-4-iodo-3-pyridinyl)carbamic acid tert-butyl esterCarbamicacid, N-(6-chloro-4-iodo-3-pyridinyl)-, 1,1-dimethyl...Carbamic acid, N-(6-chloro-4-iodo-3-pyridinyl)-, 1,1-dimethylethyl ester
CS-W007089N-Boc-6-chloro-4-iodopyridin-3-amineSB83680(6-Chloro-4-iodopyridin-3-yl)carbamic acid tert-butyl ester1,1-dimethylethyl (6-chloro-4-iodo-3-pyridinyl)carbamate(6-chloro-4-iodo-pyridin-3-yl)-carbamic acid tert-butyl ester(6-Chloro-4-iodo-3-pyridinyl)-carbamic acid 1,1-dimethylethyl esterSCHEMBL1581324
데이터베이스 식별자
- CAS
400777-00-6- PubChem CID
- 53415320
- DTXSID
DTXSID40697039- EC Number
- 894-561-6
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 51.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 258
물리화학적 성질
- 끓는 점
- 339.7 · 339.7±42.0 °C(Predicted)
- 밀도
- 1.723 · 1.723±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 산도 계수 (pKa)
- 11.27 · 11.27±0.70(Predicted)
- InChI
- InChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)14-7-5-13-8(11)4-6(7)12/h4-5H,1-3H3,(H,14,15)
- InChIKey
- YCBOUHLCYYKTFG-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NC1=C(I)C=C(Cl)N=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, 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.；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
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
안전 데이터
- HS 번호
- 2933399990
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
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