클로로메틸벤조에이트

Chloromethyl benzoate

HCID 79257CAS 5335-05-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(OCCl)c1ccccc1
InChIKey: BOXZXICVMMSYPE-UHFFFAOYSA-N
분자식: C8H7ClO2
평균 분자량: 170.59 g/mol
단동위원소 질량: 170.0134572

이름 및 식별자

우선 이름: Chloromethyl benzoate
IUPAC: chloromethyl benzoate
현지명: 클로로메틸벤조에이트
영어명: Chloromethyl benzoate
분자식: C8H7ClO2
분자량: 170.59

이름 및 동의어

Chloromethyl benzoate5335-05-79K5D6QG3XNMethanol, chloro-, benzoateNSC-2876DTXSID30967975NSC 2876EINECS 226-254-4METHANOL, 1-CHLORO-, 1-BENZOATEAI3-17422RefChem:125438DTXCID401395567

이름 더 보기

클로로메틸벤조에이트Chloromethanol benzoateMethanol,1-chloro-,benzoateBenzoic acid chlroMethyl ester

226-254-4ChloromethylbenzoateMFCD00040116BENZOIC ACID CHLOROMETHYL ESTERC6H5COOCH2ClUNII-9K5D6QG3XNSCHEMBL557186BENZOYLOXYMETHYL CHLORIDE

데이터베이스 식별자

CAS: 5335-05-7
PubChem CID: 79257
DTXSID: DTXSID30967975
UNII: 9K5D6QG3XN
EC Number: 226-254-4
Nikkaji: J217.895H

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 130

물리화학적 성질

끓는 점: 114 · 114-115 °C(Press: 8 Torr)
밀도: 1.229 · 1.229±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
색상: 무색
EPA: Chloromethyl benzoate (5335-05-7)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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

Regulatory InformationStatus: Active Update: 14-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23210

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Corr. 1B (66.7%)；Skin Irrit. 2 (33.3%)；Skin Sens. 1 (66.7%)；Eye Irrit. 2 (33.3%)；Acute Tox. 4 (66.7%)；STOT SE 3 (33.3%)