Ethyl 5-chloro-2-nitrobenzoate

HCID 603450CAS 51282-56-5

기본 정보

표준 SMILES: CCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIKey: RICLVXMCOVKPRW-UHFFFAOYSA-N
분자식: C9H8ClNO4
평균 분자량: 229.62 g/mol
단동위원소 질량: 229.0141854

이름 및 식별자

우선 이름: Ethyl 5-chloro-2-nitrobenzoate
IUPAC: ethyl 5-chloro-2-nitrobenzoate
영어명: Ethyl 5-chloro-2-nitrobenzoate
분자식: C9H8ClNO4
분자량: 229.62

이름 및 동의어

Ethyl 5-chloro-2-nitrobenzoate51282-56-5Benzoic acid, 5-chloro-2-nitro-, ethyl ester5-chloro-2-nitro-benzoic acid ethyl esterMFCD06204330Ethyl-5-chloro-2-nitrobenzoateEthyl5-chloro-2-nitrobenzoateSCHEMBL267821ethyl 5-chloro-2-nitro-benzoateBCA28256AKOS0089483285-Chloro-2-nitrobenzoic acid ethyl ester

이름 더 보기

CS-0307959EN300-102478G58005F718177

데이터베이스 식별자

CAS: 51282-56-5
PubChem CID: 603450
EC Number: 175-589-1

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 72.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 253

물리화학적 성질

끓는 점: 319.8 · 319.8±22.0 °C(Predicted)
밀도: 1.369 · 1.369±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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.