trans-2-Chloro-6-fluorocinnamic acid

HCID 5324668
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기본 정보

CAS
392-22-3
표준 SMILES
O=C(O)/C=C/c1c(F)cccc1Cl
InChIKey
NDWALECYVLNBQG-SNAWJCMRSA-N
분자식
C9H6ClFO2
평균 분자량
200.59 g/mol
단동위원소 질량
200.0040353

이름 및 식별자

우선 이름
trans-2-Chloro-6-fluorocinnamic acid
IUPAC
(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoic acid
영어명
2-Chloro-6-fluorocinnamic acid
분자식
C9H6ClFO2
분자량
200.59

이름 및 동의어

392-22-3RefChem:898754TRANS-2-CHLORO-6-FLUOROCINNAMIC ACID630-980-02-Chloro-6-fluorocinnamic acid3-(2-Chloro-6-fluorophenyl)acrylic acid206986-82-5(E)-3-(2-chloro-6-fluorophenyl)acrylic acid(2E)-3-(2-chloro-6-fluorophenyl)prop-2-enoic acidMFCD00051582(2E)-3-(2-CHLORO-6-FLUOROPHENYL)ACRYLIC ACID(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoic acid
이름 더 보기
RARECHEM BK HW 00692-Chloro-6-fluorocinnamicacid98%2-Chloro-6-fluorocinnamic acid 98%3-(2-chloro-6-fluorophenyl)-2-propenoate2-CHLORO-6-FLUOROCINNAMIC ACID USP/EP/BP3-(2-CHLORO-6-FLUORO-PHENYL)-ACRYLIC ACID(E)-3-(2-chloro-6-fluoro-phenyl)acrylic acid3-(2-chloro-6-fluorophenyl)prop-2-enoic acid
2-PROPENOIC ACID, 3-(2-CHLORO-6-FLUOROPHENYL)-, (2E)-(E)-3-(2-chloro-6-fluoro-phenyl)-acrylic acid2-Chloro-6-fluorocinnamic acid, predominantly transSCHEMBL1168384(E)-3-(2-chloro-6-fluoroSCHEMBL29935336ALBB-011734BBL034247

데이터베이스 식별자

CAS
392-22-3
PubChem CID
5324668
EC Number
630-980-0

물성

구조 계산 물성

XLogP
2.6
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
13

물리화학적 성질

녹는점
165 · 165-169 °C(lit.)
끓는 점
312.8 · 312.8±27.0 °C(Predicted)
밀도
1.42 · 1.420±0.06 g/cm3(Predicted)
산도 계수 (pKa)
4.14 · 4.14±0.16(Predicted)
물리적 상태
니들 크리스탈
색상
흰색에서 황백색까지

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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

Aggregated GHS information provided per 38 reports by companies from 1 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk
3
HS 번호
29163900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39
위험 등급
IRRITANT

화학 및 산업

상·하류 제품 정보

공급사34 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]

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