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3-Chloro-4-nitroaniline

HCID 69996
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
825-41-2
표준 SMILES
Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIKey
LDSIOPGMLLPSSR-UHFFFAOYSA-N
분자식
C6H5ClN2O2
평균 분자량
172.57 g/mol
단동위원소 질량
172.0039551

이름 및 식별자

우선 이름
3-Chloro-4-nitroaniline
IUPAC
3-chloro-4-nitroaniline
영어명
3-Chloro-4-nitroaniline
분자식
C6H5ClN2O2
분자량
172.57

이름 및 동의어

3-Chloro-4-nitroanilineBenzenamine, 3-chloro-4-nitro-Aniline, 3-chloro-4-nitro-3-Chloro-4-nitrobenzenamineDTXSID40231795NSC 39966RefChem:93448DTXCID70154286642-644-0LDSIOPGMLLPSSR-UHFFFAOYSA-N825-41-2MFCD00085922
이름 더 보기
'3-Chloro-4-Nitroaniline'3-Chloro-4-nitroaniline,95%3-Chloro-4-nitroaniline,97%4-Amino-2-chloronitrobenzene2-Chloro-4-aminonitrobenzeneGentamycin Sulfate Impurity 21(3-chloro-4-nitro-phenyl)amine3-CHLORO-4-NITROANILINE ISO 9001:2015 REACH
NSC399664-Nitro-3-chloranilin3-chloro-4-nitro-aniline3-chloro-4-nitro-phenylamineSCHEMBL358948SCHEMBL6811417NSC-39966AKOS005257732

데이터베이스 식별자

CAS
825-41-2
PubChem CID
69996
DTXSID
DTXSID40231795
EC Number
642-644-0
Nikkaji
J140.781C

물성

구조 계산 물성

XLogP
1.8
극성 표면적
71.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
11
형식 전하
0
복잡도
159

물리화학적 성질

녹는점
158 °C · 158°C
끓는 점
366.8 · 366.8±22.0 °C(Predicted)
밀도
1.494 · 1.494
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
물리적 상태
powder to crystal
산도 계수 (pKa)
-0.06 · -0.06±0.10(Predicted)
색상
밝은 노란색에서 갈색까지
수용성
물에 불용성.
InChI
InChI=1S/C6H5ClN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2
InChIKey
LDSIOPGMLLPSSR-UHFFFAOYSA-N
SMILES
C1(N)=CC=C([N+]([O-])=O)C(Cl)=C1

화학적 성질

light yellow powder

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

Danger

H300+H310+H330 (25%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H300 (12.5%): Fatal if swallowed [Danger Acute toxicity, oral];H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H310 (12.5%): Fatal in contact with skin [Danger Acute toxicity, dermal];H311 (75%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (62.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H330 (12.5%): Fatal if inhaled [Danger Acute toxicity, inhalation];H331 (25%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H373 (37.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard];H412 (12.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard];H413 (12.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, 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

Hazard Classes and Categories · 1건

Acute Tox. 2 (12.5%);Acute Tox. 3 (25%);Acute Tox. 1 (12.5%);Acute Tox. 3 (75%);Skin Irrit. 2 (75%);Eye Irrit. 2 (62.5%);Acute Tox. 2 (12.5%);Acute Tox. 3 (25%);STOT RE 2 (37.5%);Aquatic Chronic 2 (25%);Aquatic Chronic 3 (12.5%);Aquatic Chronic 4 (12.5%)

안전 데이터

ridadr
UN 2237 (CHLORONITROANILINES)
HS 번호
2921420090
hazard_code
Xi
포장분류
III
위험 등급
6.1
위험 참고 사항
Irritant

화학 및 산업

응용 분야

용도3-Chloro-4-nitroaniline is used as a pharmaceutical and medical intermediate.

공급사100 곳

上海策嵘生物科技有限公司[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
常州市阿尔捷化工商贸有限公司13813686894 · [email protected]
环生美森医药技术(山东)有限公司0531-88762217 18301471076 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Changzhou Helios Biomedical Science and Technology Co.,LTD.+8618961213068;+8618961100976 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
常州市马龙化工有限公司18651958646
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
Changzhou Fullone Chemical Co., Ltd.+86-13328197671 +86-13861172460 · [email protected]
Nantong Haigine Pharma Technology Co., Ltd0086-513-86266699
上海皓之翔生物科技有限公司(原上海拓青化工有限公司)526763801 13301653310 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
常州安科尔生物科技有限公司0519-85519868 18915088878 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
常州歆达生物科技有限公司0519-85519868 18915088878 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]

관련 반응

14건
반응 기록 만들기
HRID 508319 반응식
HRID 508319반응물로uspto-grants-2015_08
HRID 937358 반응식
HRID 937358반응물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 938422 반응식
HRID 938422반응물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 1087128 반응식
HRID 1087128생성물로uspto-grants-1991_07
HRID 1216325 반응식
HRID 1216325생성물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1732864 반응식
HRID 1732864반응물로uspto-grants-1980_12
HRID 1773582 반응식
HRID 1773582생성물로uspto-grants-2016_02
HRID 1886782 반응식
HRID 1886782반응물로uspto-grants-2013_08
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