3-(ブロモメチル)ピロリジン-1-カルボン酸TERT-ブチル

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

HCID 24730280

基本情報

CAS
305329-97-9
標準SMILES
CC(C)(C)OC(=O)N1CCC(CBr)C1
InChIKey
NQNGQGISAMHLST-UHFFFAOYSA-N
分子式
C10H18BrNO2
平均分子量
264.16 g/mol
単同位体質量
263.05209

名称と識別子

優先名称
tert-Butyl 3-(bromomethyl)pyrrolidine-1-carboxylate
IUPAC
tert-butyl 3-(bromomethyl)pyrrolidine-1-carboxylate
現地名
3-(ブロモメチル)ピロリジン-1-カルボン酸TERT-ブチル
英語名
tert-Butyl 3-(bromomethyl)pyrrolidine-1-carboxylate
分子式
C10H18BrNO2
分子量
264.16

名称と別名

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
名称をさらに表示
3-(ブロモメチル)ピロリジン-1-カルボン酸TERT-ブチル1-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

データベース識別子

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

物性

構造計算による物性

XLogP
2.3
極性表面積
29.5 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
3
重原子数
14

物理化学的性質

沸点
300.1 · 300.1±15.0 °C(Predicted)
比重(密度)
1.312 · 1.312±0.06 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C
酸解離定数(Pka)
-2.14 · -2.14±0.40(Predicted)

化学的性質

化学的特性Liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (66.7%);Skin Irrit. 2 (100%);Eye Dam. 1 (66.7%);STOT SE 3 (100%)

安全データ

hs_code
2933998090
risk_code
22
hazard_code
Xn
hazard_class
IRRITANT

化学と産業

サプライヤー87 社

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]

関連反応

6 件

化合物ノート

読み込み中…