3-Chloroanisole

HCID 17833CAS 2845-89-8

기본 정보

표준 SMILES
COc1cccc(Cl)c1
InChIKey
YUKILTJWFRTXGB-UHFFFAOYSA-N
분자식
C7H7ClO
평균 분자량
142.58 g/mol
단동위원소 질량
142.0185425

이름 및 식별자

우선 이름
3-Chloroanisole
IUPAC
1-chloro-3-methoxybenzene
영어명
3-Chloroanisole
분자식
C7H7ClO
분자량
142.58

이름 및 동의어

3-Chloroanisole2845-89-8Benzene, 1-chloro-3-methoxy-HQ8W659XSKDTXSID7062667RefChem:93501DTXCID9037820220-642-71-CHLORO-3-METHOXYBENZENEm-ChloroanisoleAnisole, m-chloro-1-chloro-3-methoxy-benzene
이름 더 보기
1-chloro-3-methoxy-benzenm-chlorophenylmethyletheroroanisoL3-Chloroanisole>
MFCD000005913-Chloromethoxybenzene3-methoxyphenyl chloride3-chloroanisol20032-78-4meta-Chloroanisole3-anisolyl chlorideEINECS 220-642-7

데이터베이스 식별자

CAS
2845-89-8
PubChem CID
17833
DTXSID
DTXSID7062667
UNII
HQ8W659XSK
EC Number
220-642-7
Nikkaji
J5.167E

물성

구조 계산 물성

XLogP
3
극성 표면적
9.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
9

실험 및 물리화학적 성질

Kovats Retention Index · 3건

1072;1081;1084;1080;1085;1092;1068

1110.8;1126

1582;1588;1604;1618;1623;1628

물리화학적 성질

녹는점
25 °C · 25°C
끓는 점
193 °C · 193 °C (lit.)
밀도
1.164 g/mL · 1.164 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.536(lit.)
인화점
164 °F · 164 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

CLEAR LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H227 (20%): Combustible liquid [Warning Flammable liquids];H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.;There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).;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 CategoriesFlam. Liq. 4 (20%);Acute Tox. 4 (20%);Acute Tox. 4 (20%);Skin Irrit. 2 (80%);Eye Irrit. 2A (80%);Acute Tox. 4 (20%);STOT SE 3 (80%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29093090
hazard_code
Xi
safety_code
23-24/25
위험 참고 사항
Irritant

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-chloro-3-methoxy-: INACTIVE

응용 분야

용도3-Chloroanisole was employed as starting reagent in the regioselective synthesis of 4- and 7-alkoxyindoles. It was also employed as electrolyte additive for the overcharging protection of Li-ion cell.

일반 설명One-step preparation of 3-chloroanisole from the corresponding 3-substituted nitrobenzene has been reported.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]

관련 반응

24건

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