기본 정보
- 표준 SMILES
Cc1ccc(N)c(I)c1- InChIKey
AJTUKWIQLKKRHE-UHFFFAOYSA-N- 분자식
- C7H8IN
- 평균 분자량
- 233.05 g/mol
- 단동위원소 질량
- 232.97015
이름 및 식별자
- 우선 이름
- 2-Iodo-4-methylaniline
- IUPAC
- 2-iodo-4-methylaniline
- 영어명
- 2-Iodo-4-methylaniline
- 분자식
- C7H8IN
- 분자량
- 233.05
이름 및 동의어
2-iodo-4-methylaniline29289-13-2DTXSID00377244RefChem:87657DTXCID60328272608-339-1Benzenamine, 2-iodo-4-methyl-MFCD034073912-Iodo-4-methylbenzenamine2-Iodo-4-methylaniline, 97%SCHEMBL406084Benzenamine,2-iodo-4-methyl-
이름 더 보기
BUTTPARK 34\09-132-Iodo-4-Methylanline2-Iodo-4-methylaniline 97%4-Amino-2-iodotoluene~3-Iodo-p-toluidine4-Amino-3-iodotoluene, 2-Iodo-p-toluidine
(2-iodo-4-methyl-phenyl)-amine4-Amino-3-iodotoluene2-Iodo-4-methyl-aniline2-iodo-4-methylphenylamineSCHEMBL3388274SCHEMBL31717223AJTUKWIQLKKRHE-UHFFFAOYSA-NSBB098035
데이터베이스 식별자
- CAS
29289-13-2- PubChem CID
- 2764000
- DTXSID
DTXSID00377244- EC Number
- 608-339-1
- Nikkaji
- J519.033I
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 94
물리화학적 성질
- 녹는점
- 34 · 34-37°C
- 끓는 점
- 273 °C · 273°C (rough estimate)
- 밀도
- 1.7004 · 1.7004 (estimate)
- 인화점
- 110 °C · >110°C
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 2.97 · 2.97±0.10(Predicted)
- 물리적 상태
- 결정성 분말
- 색상
- 크림색
- InChI
- 1S/C7H8IN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
- InChIKey
- AJTUKWIQLKKRHE-UHFFFAOYSA-N
- SMILES
- NC1=C(I)C=C(C)C=C1
화학적 성질
Milky white solid
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 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. 3 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- 2811
- HS 번호
- 29214300
- risk_code
- 36/37/38-41-37/38-25
- hazard_code
- T,Xi
- safety_code
- 26-37/39-36/37/39-27-45
- 포장분류
- Ⅲ
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
常州瀚轩生物科技有限公司18602598900，18605190599 18602598900 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
上海德默医药科技有限公司400-021-7337 2355568890 · [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]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
安徽合诺生物科技有限公司18455579438
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
武汉爱瑞克科技有限公司027- 51832457 94518350
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
南京圣赛化工有限公司025-85205967 13951876367 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
山东友帮生化科技有限公司15098208899 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南京恩德萨生物科技有限公司025-58862853 18915922038 · [email protected]
上海澄拓化工科技有限公司021-59904146 18001826933 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
天津安浩生物科技有限公司[email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
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