2-아미노-6-클로로벤조니트릴

2-Amino-6-chlorobenzonitrile

HCID 81056CAS 6575-11-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#Cc1c(N)cccc1Cl
InChIKey: MEJVTQKBWPYBFG-UHFFFAOYSA-N
분자식: C7H5ClN2
평균 분자량: 152.58 g/mol
단동위원소 질량: 152.0141259

이름 및 식별자

우선 이름: 2-Amino-6-chlorobenzonitrile
IUPAC: 2-amino-6-chlorobenzonitrile
현지명: 2-아미노-6-클로로벤조니트릴
영어명: 2-Amino-6-chlorobenzonitrile
분자식: C7H5ClN2
분자량: 152.58

이름 및 동의어

2-Amino-6-chlorobenzonitrile6575-11-7NSC 129936DTXSID60215956EINECS 229-501-4RefChem:464745DTXCID90138447229-501-4Benzonitrile, 2-amino-6-chloro-Benzonitrile,2-amino-6-chloro-6-Chloroanthranilonitrile3-Chloro-2-cyanoaniline

이름 더 보기

2-아미노-6-클로로벤조니트릴0/7/752-AMino-6-chlorobenzonitrile 96%6-Chloroanthranilonitrile, 3-Chloro-2-cyanoaniline

MFCD000155462-amino-6-chloro-benzonitrile6-Amino-2-chlorobenzonitrile2-amino-6-chloro benzonitrileNSC-129936AM808207SY011984EN300-24404

데이터베이스 식별자

CAS: 6575-11-7
PubChem CID: 81056
DTXSID: DTXSID60215956
UNII: YS5D5JX4JG
EC Number: 229-501-4
Nikkaji: J225.198A

물성

구조 계산 물성

XLogP: 2
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 134 · 134-136 °C(lit.)
끓는 점: 327 · 327.0±27.0 °C(Predicted)
밀도: 1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 0.76 · 0.76±0.10(Predicted)
색상: 밝은 노란색에서 노란색까지
BRN: 2717090 · 2717090
InChI: 1S/C7H5ClN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
InChIKey: MEJVTQKBWPYBFG-UHFFFAOYSA-N
SMILES: Nc1cccc(Cl)c1C#N
NIST: 6 · 6-Chloroanthranilonitrile(6575-11-7)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (12.8%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (85.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (12.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 CategoriesAcute Tox. 3 (12.8%)；Acute Tox. 4 (10.6%)；Skin Irrit. 2 (12.8%)；Skin Sens. 1 (85.1%)；Eye Irrit. 2A (12.8%)；Acute Tox. 4 (10.6%)；STOT SE 3 (12.8%)