HCID101370

1,2,3,4-Tetrahydro-2-naphthoic acid

1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C11H12O2176.21 g/molCAS 53440-12-3

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IDENTITY

结构与身份

标准SMILES: O=C(O)C1CCc2ccccc2C1
InChIKey: NTAGXJQHJQUOOA-UHFFFAOYSA-N
分子式: C11H12O2
平均分子量: 176.21 g/mol
单同位素质量: 176.08372962

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 200

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 (97.6%): 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 41 reports by companies from 4 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

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

ALIASES

名称与别名

共 40 条

1,2,3,4-Tetrahydro-2-naphthoic acid53440-12-3EINECS 258-553-02-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-Tetrahydro-.beta.-naphthoic acidNSC 4086081,2,3,4-Tetrahydro-.beta.-naphthoic acidRefChem:71305Tetrahydro-beta-naphthoic acid1,2,3,4-Tetrahydro-beta-naphthoic acid258-553-0NTAGXJQHJQUOOA-UHFFFAOYSA-N1,2,3,4-tetrahydronaphthalene-2-carboxylic acidTetralin-2-carboxylic acid1,2,3,4-Tetrahydro-2-naphthalenecarboxylic acidMFCD000017411,2,3,4-tetrahydro-naphthalene-2-carboxylic acidNSC408608SCHEMBL367535orb3031527

REACTIONS

参与反应

33 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05725798

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05734052

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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

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

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uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06602888B2

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