5-아미노벤주옥사졸

1,3-Benzoxazol-5-amine

HCID 1482188

기본 정보

CAS
63837-12-7
표준 SMILES
Nc1ccc2ocnc2c1
InChIKey
IAWQUHCVFXQBMC-UHFFFAOYSA-N
분자식
C7H6N2O
평균 분자량
134.14 g/mol
단동위원소 질량
134.04801282

이름 및 식별자

우선 이름
1,3-Benzoxazol-5-amine
IUPAC
1,3-benzoxazol-5-amine
현지명
5-아미노벤주옥사졸
영어명
5-Aminobenzooxazole
분자식
C7H6N2O
분자량
134.14

이름 및 동의어

1,3-benzoxazol-5-amine63837-12-75-AminobenzoxazoleDTXSID10363254RefChem:413872DTXCID50314301675-050-55-Aminobenzooxazolebenzo[d]oxazol-5-amine5-benzoxazolamine5-Amino-1,3-benzoxazoleMFCD05256201
이름 더 보기
5-아미노벤주옥사졸1,3-Benzoxazol-5-amine, 5-Aminobenzo[d]oxazole
benzooxazol-5-ylamine5-Aminobenzoxazolbenzoxazole-5-ylamineSCHEMBL115366SCHEMBL4152683SCHEMBL29361664IAWQUHCVFXQBMC-UHFFFAOYSA-N1,3-Benzoxazol-5-aMine, >95%

데이터베이스 식별자

CAS
63837-12-7
PubChem CID
1482188
DTXSID
DTXSID10363254
EC Number
675-050-5

물성

구조 계산 물성

XLogP
0.9
극성 표면적
52.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
10

물리화학적 성질

녹는점
64 · 64-66°C
끓는 점
282.3 · 282.3±13.0 °C(Predicted)
밀도
1.317 · 1.317±0.06 g/cm3(Predicted)
저장 조건
-20 °C, · -20°C, protect from light
산도 계수 (pKa)
6.97 · 6.97±0.10(Predicted)
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.;There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).;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 (20%);Skin Irrit. 2 (60%);Eye Irrit. 2 (60%);STOT SE 3 (60%)

안전 데이터

HS 번호
2934999090
hazard_code
Xi
위험 등급
IRRITANT

화학 및 산업

상·하류 제품 정보

공급사40 곳

青岛鼎新海诺商贸有限公司18661607483
上海凛南医药科技有限公司15900633975;13262632028
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

관련 반응

4건

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