反应SMILES:CCOC(=O)C(F)Br
HCID2733407

Acetic acid, 2-bromo-2-fluoro-, ethyl ester

ethyl 2-bromo-2-fluoroacetate

C4H6BrFO2184.99 g/molCAS 10-35-5

IDENTITY

结构与身份

标准SMILES
CCOC(=O)C(F)Br
InChIKey
ULNDTPIRBQGESN-UHFFFAOYSA-N
分子式
C4H6BrFO2
平均分子量
184.99 g/mol
单同位素质量
183.95352

COMPUTED

结构计算性质

已同步
XLogP
1.3
极性表面积
26.3 Ų
氢键供体
0
氢键受体
3
可旋转键
3
重原子
8
形式电荷
0
复杂度
86

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (12.2%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (85.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (95.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (87.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 3 (14.3%);Acute Tox. 4 (85.7%);Acute Tox. 3 (12.2%);Acute Tox. 4 (85.7%);Skin Irrit. 2 (95.9%);Eye Irrit. 2 (87.8%);Acute Tox. 4 (85.7%);STOT SE 3 (93.9%)

ALIASES

名称与别名

共 30 条
Ethyl bromofluoroacetate401-55-8RefChem:552126Acetic acid, 2-bromo-2-fluoro-, ethyl ester206-928-4ethyl 2-bromo-2-fluoroacetateethylbromofluoroacetateBromofluoroacetic Acid Ethyl EsterC4H6BrFO2MFCD00042095ethyl bromo(fluoro)acetate10-35-5ethyl-2-bromofluoroacetateethyl fluorobromoacetateacetic acid, bromofluoro-, ethyl esterethyl 2-bromo-2-fluoro-acetateEINECS 206-928-4SCHEMBL531947Ethyl bromofluoroacetate, 97%DTXSID50905152

REACTIONS

参与反应

360
HRID80337

uspto-grants-2014_09

作为反应物
HRID 80337 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846164B2

查看
HRID80340

uspto-grants-2014_09

作为反应物
HRID 80340 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846164B2

查看
HRID102641

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 102641 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看
HRID191155

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 191155 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看
HRID263384

uspto-grants-1997_07

作为反应物
HRID 263384 方程式

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05643855

查看
HRID363440

uspto-grants-1999_02

作为反应物
HRID 363440 方程式

uspto-grants-1999_02 · 10.6084/m9.figshare.5104873.v1 · US05874448

查看
HRID405712

uspto-grants-2014_06

作为反应物
HRID 405712 方程式

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08754075B2

查看
HRID517028

uspto-grants-2015_08

作为反应物
HRID 517028 方程式

uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09115098B2

查看