Methyl 2-(2-nitrophenyl)acetate

HCID 520464CAS 30095-98-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)Cc1ccccc1[N+](=O)[O-]
InChIKey
SWMFAAPTSMVULA-UHFFFAOYSA-N
분자식
C9H9NO4
평균 분자량
195.17 g/mol
단동위원소 질량
195.05315777

이름 및 식별자

우선 이름
Methyl 2-(2-nitrophenyl)acetate
IUPAC
methyl 2-(2-nitrophenyl)acetate
영어명
Methyl (2-nitro-phenyl)-acetate
분자식
C9H9NO4
분자량
195.17

이름 및 동의어

methyl 2-(2-nitrophenyl)acetate30095-98-8DTXSID30334360RefChem:813282DTXCID40285450888-922-7Methyl (2-nitrophenyl)acetateMFCD00968465METHYL (2-NITRO-PHENYL)-ACETATEBenzeneacetic acid, 2-nitro-, methyl ester2-NITROPHENYLACETIC ACID METHYL ESTER(2-Nitrophenyl)acetic acid, methyl ester
이름 더 보기
Benzocaine Impurity 12METHYL (NITRO-PHENYL)-ACETATEMETHYL2-(2-NITHROPHENYL)-ACETATE2-Nitrobenzeneacetic acid methyl2-(2-Nitrophenyl)acetic acid methylo-Nitrophenylacetic acid methyl ester
Methyl(2-NitropMethyl o-nitrophenylacetateMethyl 2-nitrophenylacetateSCHEMBL908565methyl2-(2-nitrophenyl)acetateSCHEMBL29923859Methyl (2-nitrophenyl)acetate #Methyl 2-nitrophenylacetate, 97%

데이터베이스 식별자

CAS
30095-98-8
PubChem CID
520464
DTXSID
DTXSID30334360
EC Number
888-922-7
Nikkaji
J47.337E

물성

구조 계산 물성

XLogP
1.9
극성 표면적
72.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
14

실험 및 물리화학적 성질

Kovats Retention Index1554

물리화학적 성질

끓는 점
112 · 112-115°/2mm
저장 조건
Sealed in dry,Room Temperature
InChI
1S/C9H9NO4/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3
SMILES
O=[N+]([O-])C(C=CC=C1)=C1CC(OC)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호
2915390090

화학 및 산업

상·하류 제품 정보

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

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