3-(2,4-DICHLOROPHENYL)프로피온산

3-(2,4-Dichlorophenyl)propanoic acid

HCID 2740915CAS 55144-92-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)CCc1ccc(Cl)cc1Cl
InChIKey: HLNPVFSCAMKIOD-UHFFFAOYSA-N
분자식: C9H8Cl2O2
평균 분자량: 219.06 g/mol
단동위원소 질량: 217.9901349

이름 및 식별자

우선 이름: 3-(2,4-Dichlorophenyl)propanoic acid
IUPAC: 3-(2,4-dichlorophenyl)propanoic acid
현지명: 3-(2,4-DICHLOROPHENYL)프로피온산
영어명: 3-(2,4-Dichlorophenyl)propionic acid
분자식: C9H8Cl2O2
분자량: 219.06

이름 및 동의어

3-(2,4-dichlorophenyl)propanoic acid55144-92-8DTXSID20372397RefChem:490053DTXCID60323429625-886-13-(2,4-Dichlorophenyl)propionic acidMFCD00275605Benzenepropanoic acid, 2,4-dichloro-2,4-dichloro-benzenepropanoic acidSCHEMBL586345F9995-0941

이름 더 보기

3-(2,4-DICHLOROPHENYL)프로피온산2,4-DICHLOROHYDROCINNAMIC ACIDJR-6867, 3-(2,4-Dichlorophenyl)propanoic acid, 97%3-(2,4-Dichlorophenyl)propionic acid,2,4-Dichlorohydrocinnamic acid

CCG-248322NCGC00338538-013-(2,4-Dichlorophenyl)propionic acid, 97%Maybridge4_0041353-(2,4-DICHLOROPHENYL)PROPIONICACIDA830502SCHEMBL30567601HLNPVFSCAMKIOD-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 55144-92-8
PubChem CID: 2740915
DTXSID: DTXSID20372397
EC Number: 625-886-1
Nikkaji: J90.251I

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 89 · 89-93 °C (lit.)
끓는 점: 336.6 · 336.6±27.0 °C(Predicted)
밀도: 1.392 · 1.392±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 4.55 · 4.55±0.10(Predicted)
색상: 크림색
InChI: 1S/C9H8Cl2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13)
InChIKey: HLNPVFSCAMKIOD-UHFFFAOYSA-N
SMILES: OC(=O)CCc1ccc(Cl)cc1Cl

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.1%): 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]；H400 (88.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 45 reports by companies from 5 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 (86.7%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (88.9%)；Eye Irrit. 2 (11.1%)；STOT SE 3 (100%)；Aquatic Acute 1 (88.9%)

안전 데이터

wgk: 3
ridadr: UN 3077 9/PG 3
HS 번호: 29163990
risk_code: 22-37/38-41-50/53
hazard_code: Xn,N,Xi
safety_code: 26-36-60-61
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids