(S)-5-ブロモ-6-メトキシ-α-メチル-2-ナフタレン酢酸

5-Bromonaproxen, (S)-

HCID 11529664
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基本情報

CAS
84236-26-0
標準SMILES
COc1ccc2cc([C@H](C)C(=O)O)ccc2c1Br
InChIKey
JZRWXNBIQCMXSU-QMMMGPOBSA-N
分子式
C14H13BrO3
平均分子量
309.15 g/mol
単同位体質量
308.00481

名称と識別子

優先名称
5-Bromonaproxen, (S)-
IUPAC
(2S)-2-(5-bromo-6-methoxynaphthalen-2-yl)propanoic acid
現地名
(S)-5-ブロモ-6-メトキシ-α-メチル-2-ナフタレン酢酸
英語名
(S)-5-bromo-6-methoxy-alpha-methylnaphthalene-1-acetic acid
分子式
C14H13BrO3
分子量
309.16

名称と別名

84236-26-05-Bromonaproxen, (S)-(2S)-2-(5-bromo-6-methoxynaphthalen-2-yl)propanoic acidUNII-QBW1M74OFYQBW1M74OFYEINECS 282-475-6(+)-BROMONAPROXEN5-BROMO NAPROXEN, (S)-NAPROXEN IMPURITY C [EP IMPURITY]NAPROXEN SODIUM IMPURITY C [EP IMPURITY]S-(+)-2-(5-BROMO-6-METHOXY-2-NAPHTHYL)PROPIONIC ACID(+)-5-BROMO-6-METHOXY-.ALPHA.-METHYL-2-NAPHTHALENEACETIC ACID
名称をさらに表示
(S)-5-ブロモ-6-メトキシ-α-メチル-2-ナフタレン酢酸(2S)-2-(5-ブロモ-6-メトキシナフタレン-2-イル)プロパン酸Naproxen Impurity C(S)-5-BroMo Naproxen(2S)-2-(5-Bromo-6-methoxynaphthalenNaproxen EP Impurity C (5-Bromo Naproxen)Naproxen Impurity 3（Naproxen EP Impurity C）2(S)-(5-bromo-6-methoxy-2-naphthyl)propanoic acid(S)-2-(5-bromo-6-methoxynaphthalen-2-yl)propanoic acid
2-NAPHTHALENEACETIC ACID, 5-BROMO-6-METHOXY-.ALPHA.-METHYL-, (.ALPHA.S)-NAPROXEN IMPURITY C (EP IMPURITY)NAPROXEN SODIUM IMPURITY C (EP IMPURITY)RefChem:102206DTXCID20155647(+)-5-BROMO-6-METHOXY-ALPHA-METHYL-2-NAPHTHALENEACETIC ACID2-NAPHTHALENEACETIC ACID, 5-BROMO-6-METHOXY-ALPHA-METHYL-, (ALPHAS)-282-475-6

データベース識別子

CAS
84236-26-0
PubChem CID
11529664
UNII
QBW1M74OFY
EC Number
282-475-6
Nikkaji
J257.422E

物性

構造計算による物性

XLogP
3.9
極性表面積
46.5 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
3
重原子数
18

物理化学的性質

融点
155 · 155-157 °C
沸点
446.2 · 446.2±30.0 °C(Predicted)
比重(密度)
1.483 · 1.483±0.06 g/cm3(Predicted)
溶解性
Chloroform (Sparingly), Methanol (Slightly)
酸解離定数(Pka)
4.72 · 4.72±0.30(Predicted)
外見
Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H361fd (50%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity]；H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)；Repr. 2 (50%)；Aquatic Chronic 2 (50%)

安全データ

wgk
WGK 3
Hazard Classifications
Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT SE 3
ストレージクラス
11 - Combustible Solids

化学と産業

応用分野

使用(S)-5-Bromo Naproxen is an impurity of (S)-Naproxen (N377520).

サプライヤー53 社

济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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