(S)-5-브로모-6-메톡시-알파-메틸나프탈렌-1-아세트산

5-Bromonaproxen, (S)-

HCID 11529664

기본 정보

CAS
84236-26-0
표준 SMILES
COc1ccc2cc([C@H](C)C(=O)O)ccc2c1Br
InChIKey
JZRWXNBIQCMXSU-QMMMGPOBSA-N
분자식
C14H13BrO3
평균 분자량
309.15 g/mol
단동위원소 질량
308.00481

이름 및 식별자

우선 이름
5-Bromonaproxen, (S)-
IUPAC
(2S)-2-(5-bromo-6-methoxynaphthalen-2-yl)propanoic acid
현지명
(S)-5-브로모-6-메톡시-알파-메틸나프탈렌-1-아세트산
영어명
(S)-5-bromo-6-methoxy-alpha-methylnaphthalene-1-acetic acid
분자식
C14H13BrO3
분자량
309.16

이름 및 동의어

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
이름 더 보기
(S)-5-브로모-6-메톡시-알파-메틸나프탈렌-1-아세트산Naproxen 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.9
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
18

물리화학적 성질

녹는점
155 · 155-157 °C
끓는 점
446.2 · 446.2±30.0 °C(Predicted)
밀도
1.483 · 1.483±0.06 g/cm3(Predicted)
용해도
클로로포름(소량으로 용해), 메탄올(약간 용해됨)
산도 계수 (pKa)
4.72 · 4.72±0.30(Predicted)
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

안전 데이터

wgk
WGK 3
Hazard Classifications
Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야

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

공급사53 곳

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]

관련 반응

2건

화합물 노트

불러오는 중…