3-Chloro-2-fluorobenzoic acid

HCID 302931CAS 161957-55-7

기본 정보

표준 SMILES
O=C(O)c1cccc(Cl)c1F
InChIKey
FCSSYEWURMTUSM-UHFFFAOYSA-N
분자식
C7H4ClFO2
평균 분자량
174.55 g/mol
단동위원소 질량
173.9883852

이름 및 식별자

우선 이름
3-Chloro-2-fluorobenzoic acid
IUPAC
3-chloro-2-fluorobenzoic acid
영어명
3-Chloro-2-fluorobenzoic acid
분자식
C7H4ClFO2
분자량
174.56

이름 및 동의어

3-Chloro-2-fluorobenzoic acid161957-55-7RefChem:278164630-303-9FCSSYEWURMTUSM-UHFFFAOYSA-N2-Fluoro-3-chlorobenzoic acid3-Chloro-2-fluorobenzoicacid3-Chloro-2-fluoro Benzoic acidBenzoic acid, 3-chloro-2-fluoro-MFCD000425063-Chloro-2-fluoro-benzoic acidSCHEMBL401838
이름 더 보기
CAS:161957-55-7BUTTPARK 14\01-29RARECHEM AL BO 13033-Chloro-2-Fluorobenzoic3-Chloro-2-fluoroboronic acid3-Chloro-2-fluorobenzoicacid98%3-Chloro-2-fluorobenzoic Acid >
CS-W017482AB01929PS-8620SY014701C2117EN300-109406F8880-1898Z1203161795

데이터베이스 식별자

CAS
161957-55-7
PubChem CID
302931
EC Number
630-303-9
Nikkaji
J766.757D

물성

구조 계산 물성

XLogP
2.2
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
11

물리화학적 성질

녹는점
177 · 177-180 °C (lit.)
끓는 점
278.9 · 278.9±20.0 °C(Predicted)
밀도
1.477 · 1.477±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
메탄올에 용해됨
물리적 상태
powder to crystal

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (12.5%): 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 (87.5%): 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)

Aggregated GHS information provided per 8 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

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (12.5%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (87.5%)

규제 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29163990
risk_code
20/21/22-36/37/38
hazard_code
Xi,Xn
safety_code
22-24/25-36-26

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 3-chloro-2-fluoro-: ACTIVE

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

관련 반응

44건

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