HCID18661

Phenol, 4-(1,1-dimethylethyl)-2-nitro-

4-tert-butyl-2-nitrophenol

C10H13NO3195.21 g/molCAS 3279-07-0

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)c1ccc(O)c([N+](=O)[O-])c1
InChIKey: IHGNADPMUSNTJW-UHFFFAOYSA-N
分子式: C10H13NO3
平均分子量: 195.21 g/mol
单同位素质量: 195.08954328

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 66.1 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 216

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1361

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 40 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.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

USES

用途与制造

来源：PubChem

General Manufacturing Information

Phenol, 4-(1,1-dimethylethyl)-2-nitro-: ACTIVE

ALIASES

名称与别名

共 37 条

4-tert-Butyl-2-nitrophenol3279-07-02-Nitro-4-tert-butylphenolPhenol, 4-(1,1-dimethylethyl)-2-nitro-Q94NDU9GTFEINECS 221-914-8NSC-36629DTXSID9074642NSC 366294-(1,1-DIMETHYLETHYL)-2-NITROPHENOLRefChem:172798DTXCID2038574InChI=1/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H4-(TERT-BUTYL)-2-NITROPHENOLMFCD001918884-tert.-butyl-2-nitrophenolPhenol, 4-(1,1-dimethylethyl)-2-nitroNSC36629UNII-Q94NDU9GTFo-nitro-p-t-butyl-phenol

REACTIONS

参与反应

32 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID129702

uspto-grants-1995_11

作为反应物

uspto-grants-1995_11 · 10.6084/m9.figshare.5104873.v1 · US05470688

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HRID238500

uspto-grants-2014_02

作为反应物

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642624B2

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HRID557354

uspto-grants-2011_11

作为反应物

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08058445B2

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HRID598718

uspto-grants-2011_03

作为反应物

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07897599B2

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HRID609526

uspto-grants-1999_12

作为反应物

uspto-grants-1999_12 · 10.6084/m9.figshare.5104873.v1 · US05998121

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HRID613208

uspto-grants-1999_12

作为反应物

uspto-grants-1999_12 · 10.6084/m9.figshare.5104873.v1 · US06007973

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HRID735790

uspto-grants-2009_09

作为反应物

uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07592332B2

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HRID805535

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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