tert-부틸3-(브로모메틸)피롤리딘-1-카르복실레이트

tert-Butyl 3-(bromomethyl)pyrrolidine-1-carboxylate

HCID 24730280
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기본 정보

CAS
305329-97-9
표준 SMILES
CC(C)(C)OC(=O)N1CCC(CBr)C1
InChIKey
NQNGQGISAMHLST-UHFFFAOYSA-N
분자식
C10H18BrNO2
평균 분자량
264.16 g/mol
단동위원소 질량
263.05209

이름 및 식별자

우선 이름
tert-Butyl 3-(bromomethyl)pyrrolidine-1-carboxylate
IUPAC
tert-butyl 3-(bromomethyl)pyrrolidine-1-carboxylate
현지명
tert-부틸3-(브로모메틸)피롤리딘-1-카르복실레이트
영어명
tert-Butyl 3-(bromomethyl)pyrrolidine-1-carboxylate
분자식
C10H18BrNO2
분자량
264.16

이름 및 동의어

305329-97-9tert-Butyl 3-(bromomethyl)pyrrolidine-1-carboxylateDTXSID50647085RefChem:383318DTXCID70597836822-358-41-Boc-3-(bromomethyl)pyrrolidine1-PYRROLIDINECARBOXYLIC ACID, 3-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTERMFCD064105153-Bromomethyl-pyrrolidine-1-carboxylic acid tert-butyl esterN-BOC-3-BROMOMETHYLPYRROLIDINEtert-butyl3-(bromomethyl)pyrrolidine-1-carboxylate
이름 더 보기
tert-부틸3-(브로모메틸)피롤리딘-1-카르복실레이트1-N-Boc-3-broMoMethylpyrrolidineN-Boc-3-BromomethylpyrrolineBoc-3-Bromomethyl-pyrrolidineREF DUPL: Boc-3-Bromomethyl-pyrrolidinet-butyl-3-(bromomethyl)pyrrolidine-1-carboxylatetert-butyl 3-(brommethyl)pyrrolidine-1-carboxylate
SCHEMBL11140931-Boc-3-bromomethyl-pyrrolidineNQNGQGISAMHLST-UHFFFAOYSA-NCS-D0748AKOS015836169AB24521PB15942PB18846

데이터베이스 식별자

CAS
305329-97-9
PubChem CID
24730280
DTXSID
DTXSID50647085
EC Number
822-358-4

물성

구조 계산 물성

XLogP
2.3
극성 표면적
29.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
14

물리화학적 성질

끓는 점
300.1 · 300.1±15.0 °C(Predicted)
밀도
1.312 · 1.312±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
-2.14 · -2.14±0.40(Predicted)

화학적 성질

Liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): 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, P305+P354+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 3 reports by companies from 3 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 (66.7%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (66.7%)；STOT SE 3 (100%)

안전 데이터

HS 번호
2933998090
risk_code
22
hazard_code
Xn
위험 등급
IRRITANT

화학 및 산업

상·하류 제품 정보

공급사87 곳

上海康恩博医药科技有限公司17510465506 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]

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